(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one

C12H16O — CID 127260788

IUPAC(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one
SMILESO=C1CCC/C1=C/C1CC=CCC1
InChIInChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-2,9-10H,3-8H2/b11-9-
InChIKeyFEZLFQUWOBVQTA-LUAWRHEFSA-N
MW176.26 g/mol
LogP3.02
Rot. Bonds1

About (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one

(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one (PubChem CID 127260788) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one
PubChem CID127260788
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one
SMILESO=C1CCC/C1=C/C1CC=CCC1
InChIInChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-2,9-10H,3-8H2/b11-9-
InChIKeyFEZLFQUWOBVQTA-LUAWRHEFSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one?
The IUPAC name of (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one (CID 127260788) is (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one?
The canonical SMILES for (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one is O=C1CCC/C1=C/C1CC=CCC1.
What is the InChIKey of (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one?
The InChIKey is FEZLFQUWOBVQTA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-2,9-10H,3-8H2/b11-9-.
What are the key properties of (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one?
(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one has a molecular weight of 176.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 127260788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).