4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one

C10H12O — CID 130032088

IUPAC4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=CC(=O)CCC1=C
InChIInChI=1S/C10H12O/c1-7(2)10-6-9(11)5-4-8(10)3/h6H,1,3-5H2,2H3
InChIKeyMTJFOMIQFSGLAJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.41
Rot. Bonds1

About 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one

4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 130032088) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID130032088
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=CC(=O)CCC1=C
InChIInChI=1S/C10H12O/c1-7(2)10-6-9(11)5-4-8(10)3/h6H,1,3-5H2,2H3
InChIKeyMTJFOMIQFSGLAJ-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methylidene-3-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 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one (CID 130032088) is 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1=CC(=O)CCC1=C.
What is the InChIKey of 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is MTJFOMIQFSGLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7(2)10-6-9(11)5-4-8(10)3/h6H,1,3-5H2,2H3.
What are the key properties of 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one?
4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 148.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 130032088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).