methyl 1-methylcyclopent-2-ene-1-carboxylate

C8H12O2 — CID 557088

IUPACmethyl 1-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C)C=CCC1
InChIInChI=1S/C8H12O2/c1-8(7(9)10-2)5-3-4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyQLYLZTLICYNASF-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About methyl 1-methylcyclopent-2-ene-1-carboxylate

methyl 1-methylcyclopent-2-ene-1-carboxylate (PubChem CID 557088) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 1-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylcyclopent-2-ene-1-carboxylate
PubChem CID557088
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 1-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C)C=CCC1
InChIInChI=1S/C8H12O2/c1-8(7(9)10-2)5-3-4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyQLYLZTLICYNASF-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 1-methylcyclopent-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-methylcyclohex-3-ene-1-carboxylate
CID 110867
Methyl cyclopent-2-ene-1-carboxylate
CID 12856946
1-(Methoxycarbonyl)cyclopent-2-ene-1-carboxylic acid
CID 141135170
Carbomethoxymethylcyclopentadiene
CID 12663826
Methyl 2-(1-methylcyclopent-2-en-1-yl)acetate
CID 13163796
Diethyl cyclopent-2-ene-1,1-dicarboxylate
CID 71441755
Methyl 2,2-dimethylhex-5-enoate
CID 91621243
4-Hexenoic acid, 2-ethenyl-2,5-dimethyl-, methyl ester
CID 106670
1-Methylcyclopent-2-ene-1-carboxylic acid
CID 557084
Methyl-1-butylcyclohexa-2,5-diene-1-carboxylate
CID 13673999
Methyl 4,4-dimethylhex-5-enoate
CID 12589761
1-Methyl-3-cyclopentene-1-carboxylic acid ethyl ester
CID 58210225

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 1-methylcyclopent-2-ene-1-carboxylate (CID 557088) is methyl 1-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 1-methylcyclopent-2-ene-1-carboxylate is COC(=O)C1(C)C=CCC1.
What is the InChIKey of methyl 1-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is QLYLZTLICYNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(7(9)10-2)5-3-4-6-8/h3,5H,4,6H2,1-2H3.
What are the key properties of methyl 1-methylcyclopent-2-ene-1-carboxylate?
methyl 1-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 557088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).