2-ethenylidenebicyclo[2.2.1]heptane

C9H12 — CID 21311745

IUPAC2-ethenylidenebicyclo[2.2.1]heptane
SMILESC=C=C1CC2CCC1C2
InChIInChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h7,9H,1,3-6H2
InChIKeyYWFHUFCYUHSPLK-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.52
Rot. Bonds

About 2-ethenylidenebicyclo[2.2.1]heptane

2-ethenylidenebicyclo[2.2.1]heptane (PubChem CID 21311745) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-ethenylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethenylidenebicyclo[2.2.1]heptane
PubChem CID21311745
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2-ethenylidenebicyclo[2.2.1]heptane
SMILESC=C=C1CC2CCC1C2
InChIInChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h7,9H,1,3-6H2
InChIKeyYWFHUFCYUHSPLK-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethenylidenebicyclo[2.2.1]heptane 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 2-ethenylidenebicyclo[2.2.1]heptane?
The IUPAC name of 2-ethenylidenebicyclo[2.2.1]heptane (CID 21311745) is 2-ethenylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethenylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethenylidenebicyclo[2.2.1]heptane is C=C=C1CC2CCC1C2.
What is the InChIKey of 2-ethenylidenebicyclo[2.2.1]heptane?
The InChIKey is YWFHUFCYUHSPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h7,9H,1,3-6H2.
What are the key properties of 2-ethenylidenebicyclo[2.2.1]heptane?
2-ethenylidenebicyclo[2.2.1]heptane has a molecular weight of 120.19 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 21311745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).