1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone

C14H18O2 — CID 146987547

IUPAC1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone
SMILESCC(=O)C1CC=C(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-13(9-12)14(16)11-5-3-2-4-6-11/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyAPODERIFPIBQJB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds3

About 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone

1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone (PubChem CID 146987547) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone
PubChem CID146987547
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone
SMILESCC(=O)C1CC=C(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-13(9-12)14(16)11-5-3-2-4-6-11/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyAPODERIFPIBQJB-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]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)-cyclohex-3-en-1-yl]ethanone
CID 15562643
1-cyclooct-3-en-1-ylethanone
CID 66747175
1-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate
CID 163442224
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
CID 156676783
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
CID 22604823
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
CID 45085864
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone?
The IUPAC name of 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone (CID 146987547) is 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone?
The canonical SMILES for 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone is CC(=O)C1CC=C(C(=O)C2CC=CCC2)C1.
What is the InChIKey of 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone?
The InChIKey is APODERIFPIBQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(15)12-7-8-13(9-12)14(16)11-5-3-2-4-6-11/h2-3,8,11-12H,4-7,9H2,1H3.
What are the key properties of 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone?
1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone is sourced from PubChem (CID 146987547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).