8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one

C12H18O — CID 13300880

IUPAC8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one
SMILESC=C1CC2C1C(=O)CCC2C(C)C
InChIInChI=1S/C12H18O/c1-7(2)9-4-5-11(13)12-8(3)6-10(9)12/h7,9-10,12H,3-6H2,1-2H3
InChIKeyCXTDTUDSEIZSPS-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.81
Rot. Bonds1

About 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one

8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one (PubChem CID 13300880) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one.

Molecular Properties

Compound Name8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one
PubChem CID13300880
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one
SMILESC=C1CC2C1C(=O)CCC2C(C)C
InChIInChI=1S/C12H18O/c1-7(2)9-4-5-11(13)12-8(3)6-10(9)12/h7,9-10,12H,3-6H2,1-2H3
InChIKeyCXTDTUDSEIZSPS-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-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 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one?
The IUPAC name of 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one (CID 13300880) is 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one.
What is the SMILES notation for 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one?
The canonical SMILES for 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one is C=C1CC2C1C(=O)CCC2C(C)C.
What is the InChIKey of 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one?
The InChIKey is CXTDTUDSEIZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-7(2)9-4-5-11(13)12-8(3)6-10(9)12/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one?
8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one has a molecular weight of 178.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one is sourced from PubChem (CID 13300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).