3-methylidene-5-prop-2-enylcyclohexene

C10H14 — CID 15196946

IUPAC3-methylidene-5-prop-2-enylcyclohexene
SMILESC=CCC1CC=CC(=C)C1
InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyYJYGNIDONNEQQC-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds2

About 3-methylidene-5-prop-2-enylcyclohexene

3-methylidene-5-prop-2-enylcyclohexene (PubChem CID 15196946) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-methylidene-5-prop-2-enylcyclohexene.

Molecular Properties

Compound Name3-methylidene-5-prop-2-enylcyclohexene
PubChem CID15196946
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-methylidene-5-prop-2-enylcyclohexene
SMILESC=CCC1CC=CC(=C)C1
InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyYJYGNIDONNEQQC-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methylidene-5-prop-2-enylcyclohexene 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 3-methylidene-5-prop-2-enylcyclohexene?
The IUPAC name of 3-methylidene-5-prop-2-enylcyclohexene (CID 15196946) is 3-methylidene-5-prop-2-enylcyclohexene.
What is the SMILES notation for 3-methylidene-5-prop-2-enylcyclohexene?
The canonical SMILES for 3-methylidene-5-prop-2-enylcyclohexene is C=CCC1CC=CC(=C)C1.
What is the InChIKey of 3-methylidene-5-prop-2-enylcyclohexene?
The InChIKey is YJYGNIDONNEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 3-methylidene-5-prop-2-enylcyclohexene?
3-methylidene-5-prop-2-enylcyclohexene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-prop-2-enylcyclohexene is sourced from PubChem (CID 15196946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).