5-methylidene-2-prop-2-enylcyclohexa-1,3-diene

C10H12 — CID 90750387

IUPAC5-methylidene-2-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1=CCC(=C)C=C1
InChIInChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5,7-8H,1-2,4,6H2
InChIKeyZGMGJVBFPVGRBG-UHFFFAOYSA-N
MW132.21 g/mol
LogP3.01
Rot. Bonds2

About 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene

5-methylidene-2-prop-2-enylcyclohexa-1,3-diene (PubChem CID 90750387) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methylidene-2-prop-2-enylcyclohexa-1,3-diene
PubChem CID90750387
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name5-methylidene-2-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1=CCC(=C)C=C1
InChIInChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5,7-8H,1-2,4,6H2
InChIKeyZGMGJVBFPVGRBG-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene 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 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene?
The IUPAC name of 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene (CID 90750387) is 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene?
The canonical SMILES for 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene is C=CCC1=CCC(=C)C=C1.
What is the InChIKey of 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene?
The InChIKey is ZGMGJVBFPVGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene?
5-methylidene-2-prop-2-enylcyclohexa-1,3-diene has a molecular weight of 132.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-prop-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 90750387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).