1-Methylcyclopropene (CED0006153)

Record Information

Version

1.0

Creation Date

2016-06-03 11:30:52 UTC

Update Date

2026-08-22 17:41:50 UTC

Accession Number

CHEM043983

Identification

Common Name

1-Methylcyclopropene

Class

Small Molecule

Description

1-Methylcyclopropene is an organic compound with the chemical formula C4H6 and an average molecular weight of 54.09 g/mol. 1-Methylcyclopropene belongs to the branched unsaturated hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This substance has been identified in or released from two recorded sources, specifically antennas and auxiliary devices used in electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-MCP	ChEBI
1-Methylcycloprop-1-ene	ChEBI
EthylBloc	ChEBI
MCP	ChEBI
SmartFresh	ChEBI
MCP CPD	MeSH

Chemical Formula

C₄H₆

Average Molecular Mass

54.092 g/mol

Monoisotopic Mass

54.047 g/mol

CAS Registry Number

3100-04-7

IUPAC Name

1-methylcycloprop-1-ene

Traditional Name

1-methylcyclopropene

SMILES

CC1=CC1

InChI Identifier

InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3

InChI Key

SHDPRTQPPWIEJG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Branched unsaturated hydrocarbons

Direct Parent

Branched unsaturated hydrocarbons

Alternative Parents

Substituents

Branched unsaturated hydrocarbon
Cycloalkene
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Olefin
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	139 g/L	ALOGPS
logP	1.48	ALOGPS
logP	1.22	ChemAxon
logS	0.41	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	19.2 m³·mol⁻¹	ChemAxon
Polarizability	6.68 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-c97de42826075a100176	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-caf52a5ae1aa5d2a8b70	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4r-9000000000-d0af748056d8b639444e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-9000000000-1604dbde523973170994	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-9000000000-b4b2f9a2421373e6cb97	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-9000000000-1604dbde523973170994	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
260.0	Log mg/kg	[150:460]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Porphobilinogen deaminase	P08397	Humans	Predicted (SEA)	1.01204
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	7118.92
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	7662.78
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	7682.47
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	7602.52
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7409.77
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	7561.65
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	4720.62
Click to view 3D structure	Cytochrome P450 2A5	P20852	Mus musculus	Predicted (SEA)	695.271
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	7616.22
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7360.49
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7073.07
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7280.54
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	7684.03
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7723.11
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	7647.91
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	6480.01
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7687.84
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	7636.54
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	7230.32
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	7659.9
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	7720.77
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	7623.23
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7705.2
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7661.38