methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate

C12H18O2 — CID 11819967

IUPACmethyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C2=CCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-14-11(13)12(8-4-5-9-12)10-6-2-3-7-10/h6H,2-5,7-9H2,1H3
InChIKeyKTQQNKNZDKABTC-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate

methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate (PubChem CID 11819967) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
PubChem CID11819967
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namemethyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C2=CCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-14-11(13)12(8-4-5-9-12)10-6-2-3-7-10/h6H,2-5,7-9H2,1H3
InChIKeyKTQQNKNZDKABTC-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 1-(cyclopenten-1-yl)cyclopentane-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 (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate
CID 102349570
methyl 1-(1,2,3,6-tetrahydropyridin-4-yl)cyclobutane-1-carboxylate;hydrochloride
CID 138040197
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
methyl 7-methylidene-3,4,5,6-tetrahydro-2H-indene-3a-carboxylate
CID 13479340
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate
CID 161429718
methyl (8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carboxylate
CID 70672414
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185
dimethyl (1S,2S,3S,4S,5S,6S)-1,2-di(cyclohexen-1-yl)tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate
CID 10383650
methyl (5S,7R)-3-(cyclohexen-1-yl)adamantane-1-carboxylate
CID 101117887
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
methyl 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylate
CID 3454678

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate (CID 11819967) is methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate is COC(=O)C1(C2=CCCC2)CCCC1.
What is the InChIKey of methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate?
The InChIKey is KTQQNKNZDKABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-11(13)12(8-4-5-9-12)10-6-2-3-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate?
methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 11819967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).