(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C11H14O2 — CID 14889608

IUPAC(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC=C(C)C(=O)/C1=C\O
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4,6,9,12H,1,5H2,2-3H3/b10-6-
InChIKeyPRISKLYAIKPBNA-POHAHGRESA-N
MW178.23 g/mol
LogP2.54
Rot. Bonds1

About (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 14889608) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID14889608
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC=C(C)C(=O)/C1=C\O
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4,6,9,12H,1,5H2,2-3H3/b10-6-
InChIKeyPRISKLYAIKPBNA-POHAHGRESA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 14889608) is (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CC=C(C)C(=O)/C1=C\O.
What is the InChIKey of (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is PRISKLYAIKPBNA-POHAHGRESA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4,6,9,12H,1,5H2,2-3H3/b10-6-.
What are the key properties of (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 14889608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).