1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone

C11H16O2 — CID 23384659

IUPAC1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C1CO1
InChIInChI=1S/C11H16O2/c1-3-8-4-9(7(2)12)5-10(8)11-6-13-11/h3,8-11H,1,4-6H2,2H3
InChIKeyBNBYBOWNRKASIV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds3

About 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone

1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone (PubChem CID 23384659) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone
PubChem CID23384659
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C1CO1
InChIInChI=1S/C11H16O2/c1-3-8-4-9(7(2)12)5-10(8)11-6-13-11/h3,8-11H,1,4-6H2,2H3
InChIKeyBNBYBOWNRKASIV-UHFFFAOYSA-N
XLogP1.80
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone 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

1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone
CID 135036734
1-[3-(oxiran-2-yl)-4-[(Z)-prop-1-enyl]cyclopentyl]ethanone
CID 59911281
1-[(1S,3R,4S)-3-(oxiran-2-yl)-4-[(Z)-prop-1-enyl]cyclopentyl]ethanone
CID 60089411
1-[(1S,3S,4R)-3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone
CID 60089516
1-[(1S,3R,4S)-3-[(2R)-oxiran-2-yl]-4-[(Z)-prop-1-enyl]cyclopentyl]ethanone
CID 90909442
4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
CID 138463470
3-Methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one
CID 138636103
methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one
CID 146282537
Dec-1-ene;2-(3,4-dimethyloxolan-2-yl)dodecan-5-one
CID 157788241
1-Methyl-3-(oxiran-2-ylmethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 174635347
1-[(1R,2R,5R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone
CID 11557454
3-[(1S,2S,5S)-2-ethenyl-5-methoxy-1-methylcyclopentyl]propanal
CID 24773155

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone (CID 23384659) is 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C1CO1.
What is the InChIKey of 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone?
The InChIKey is BNBYBOWNRKASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-4-9(7(2)12)5-10(8)11-6-13-11/h3,8-11H,1,4-6H2,2H3.
What are the key properties of 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone?
1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone has a molecular weight of 180.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).