(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene

C9H12 — CID 5463081

IUPAC(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
SMILESC/C=C1/CC2C=CC1C2
InChIInChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2-
InChIKeyOJOWICOBYCXEKR-WAPJZHGLSA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds

About (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene

(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 5463081) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
PubChem CID5463081
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
SMILESC/C=C1/CC2C=CC1C2
InChIInChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2-
InChIKeyOJOWICOBYCXEKR-WAPJZHGLSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene (CID 5463081) is (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene is C/C=C1/CC2C=CC1C2.
What is the InChIKey of (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is OJOWICOBYCXEKR-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2-.
What are the key properties of (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
(5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene has a molecular weight of 120.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 5463081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).