(2E)-2-ethylidenebicyclo[2.2.1]heptane

C9H14 — CID 12010426

IUPAC(2E)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1\CC2CCC1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+
InChIKeyJURLNXPXCMWCHE-KRXBUXKQSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (2E)-2-ethylidenebicyclo[2.2.1]heptane

(2E)-2-ethylidenebicyclo[2.2.1]heptane (PubChem CID 12010426) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (2E)-2-ethylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2E)-2-ethylidenebicyclo[2.2.1]heptane
PubChem CID12010426
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(2E)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1\CC2CCC1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+
InChIKeyJURLNXPXCMWCHE-KRXBUXKQSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E)-2-ethylidenebicyclo[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 (2E)-2-ethylidenebicyclo[2.2.1]heptane?
The IUPAC name of (2E)-2-ethylidenebicyclo[2.2.1]heptane (CID 12010426) is (2E)-2-ethylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (2E)-2-ethylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (2E)-2-ethylidenebicyclo[2.2.1]heptane is C/C=C1\CC2CCC1C2.
What is the InChIKey of (2E)-2-ethylidenebicyclo[2.2.1]heptane?
The InChIKey is JURLNXPXCMWCHE-KRXBUXKQSA-N. The full InChI is InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+.
What are the key properties of (2E)-2-ethylidenebicyclo[2.2.1]heptane?
(2E)-2-ethylidenebicyclo[2.2.1]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 12010426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).