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

C9H12 — CID 5365543

IUPAC(5E)-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-KRXBUXKQSA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds

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

(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 5365543) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene
PubChem CID5365543
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(5E)-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-KRXBUXKQSA-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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Related Compounds

Ethylidenenorbornene
CID 27756
5-Vinyl-2-norbornene
CID 18273
2-Norbornene
CID 10352
5-Methylenenorbornene
CID 260380
Norbornene
CID 638051
5-Ethylidene-2-norbornene, (Z)-
CID 5463081
Bicyclo[2.2.1]hept-2-ene, polymer with ethene
CID 168460
2-Methyl-2-norbornene
CID 136510
Bicyclo[2.2.1]hept-2-ene, 5-methyl-
CID 101870
1-Methyl-3-(2-methyl-1-propenyl)cyclopentane
CID 522602
4-Ethylcyclohex-1-ene
CID 138037
3,5-Dimethylcyclohexene
CID 143321

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene (CID 5365543) is (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene is C/C=C1\CC2C=CC1C2.
What is the InChIKey of (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is OJOWICOBYCXEKR-KRXBUXKQSA-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 (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene?
(5E)-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 (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 5365543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).