2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one

C11H16O — CID 12815429

IUPAC2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one
SMILESC=C(C)CC1CCCC(=O)C1=C
InChIInChI=1S/C11H16O/c1-8(2)7-10-5-4-6-11(12)9(10)3/h10H,1,3-7H2,2H3
InChIKeyAUMZYZUHVMFYOF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds2

About 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one

2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one (PubChem CID 12815429) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one
PubChem CID12815429
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one
SMILESC=C(C)CC1CCCC(=O)C1=C
InChIInChI=1S/C11H16O/c1-8(2)7-10-5-4-6-11(12)9(10)3/h10H,1,3-7H2,2H3
InChIKeyAUMZYZUHVMFYOF-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
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'}

Analyze 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-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

Related Compounds

1-methylidene-2-(2-methylprop-2-enyl)cyclopentane
CID 13218167
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
2-methylidene-3-prop-2-enylcyclohexan-1-one
CID 130030327
2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
CID 132555561
2-[3-(2-methylprop-2-enyl)-2-oxocyclohexyl]acetic acid
CID 68703679
2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-(2-bromoprop-2-enyl)cyclopentan-1-one
CID 102080148
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908
3-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114470359
2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
CID 143288514
1,3-diethyl-2-methylidenecyclohexane
CID 58088314

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one?
The IUPAC name of 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one (CID 12815429) is 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one?
The canonical SMILES for 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one is C=C(C)CC1CCCC(=O)C1=C.
What is the InChIKey of 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one?
The InChIKey is AUMZYZUHVMFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)7-10-5-4-6-11(12)9(10)3/h10H,1,3-7H2,2H3.
What are the key properties of 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one?
2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(2-methylprop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 12815429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).