1-cyclobutylideneethylbenzene

C12H14 — CID 71363067

IUPAC1-cyclobutylideneethylbenzene
SMILESCC(=C1CCC1)c1ccccc1
InChIInChI=1S/C12H14/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYSVGBWJVQIBJSH-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.64
Rot. Bonds1

About 1-cyclobutylideneethylbenzene

1-cyclobutylideneethylbenzene (PubChem CID 71363067) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclobutylideneethylbenzene.

Molecular Properties

Compound Name1-cyclobutylideneethylbenzene
PubChem CID71363067
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-cyclobutylideneethylbenzene
SMILESCC(=C1CCC1)c1ccccc1
InChIInChI=1S/C12H14/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYSVGBWJVQIBJSH-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclobutylideneethylbenzene 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 1-cyclobutylideneethylbenzene?
The IUPAC name of 1-cyclobutylideneethylbenzene (CID 71363067) is 1-cyclobutylideneethylbenzene.
What is the SMILES notation for 1-cyclobutylideneethylbenzene?
The canonical SMILES for 1-cyclobutylideneethylbenzene is CC(=C1CCC1)c1ccccc1.
What is the InChIKey of 1-cyclobutylideneethylbenzene?
The InChIKey is YSVGBWJVQIBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 1-cyclobutylideneethylbenzene?
1-cyclobutylideneethylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylideneethylbenzene is sourced from PubChem (CID 71363067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).