(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene

C9H10 — CID 638075

IUPAC(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1C(=C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H10/c1-6-7(2)9-4-3-8(6)5-9/h3-4,8-9H,1-2,5H2/t8-,9+
InChIKeyLEHFKOPSVFOJDF-DTORHVGOSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds

About (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene

(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 638075) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
PubChem CID638075
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1C(=C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H10/c1-6-7(2)9-4-3-8(6)5-9/h3-4,8-9H,1-2,5H2/t8-,9+
InChIKeyLEHFKOPSVFOJDF-DTORHVGOSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.30
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 (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene (CID 638075) is (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene is C=C1C(=C)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is LEHFKOPSVFOJDF-DTORHVGOSA-N. The full InChI is InChI=1S/C9H10/c1-6-7(2)9-4-3-8(6)5-9/h3-4,8-9H,1-2,5H2/t8-,9+.
What are the key properties of (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene?
(1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene has a molecular weight of 118.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 638075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).