(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene

C8H12 — CID 141236422

IUPAC(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene
SMILESC[C@]12CC=C[C@H]1CC2
InChIInChI=1S/C8H12/c1-8-5-2-3-7(8)4-6-8/h2-3,7H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyJYVLWGQGNZTDGL-JGVFFNPUSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene

(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene (PubChem CID 141236422) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene
PubChem CID141236422
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene
SMILESC[C@]12CC=C[C@H]1CC2
InChIInChI=1S/C8H12/c1-8-5-2-3-7(8)4-6-8/h2-3,7H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyJYVLWGQGNZTDGL-JGVFFNPUSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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,5S)-5-methylbicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene (CID 141236422) is (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene is C[C@]12CC=C[C@H]1CC2.
What is the InChIKey of (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene?
The InChIKey is JYVLWGQGNZTDGL-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12/c1-8-5-2-3-7(8)4-6-8/h2-3,7H,4-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene?
(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 141236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).