2,3-dimethylbicyclo[3.1.0]hex-1-ene

C8H12 — CID 154515264

IUPAC2,3-dimethylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2CC2CC1C
InChIInChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h5,7H,3-4H2,1-2H3
InChIKeyJFYHSLMXCONWNQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 2,3-dimethylbicyclo[3.1.0]hex-1-ene

2,3-dimethylbicyclo[3.1.0]hex-1-ene (PubChem CID 154515264) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[3.1.0]hex-1-ene.

Molecular Properties

Compound Name2,3-dimethylbicyclo[3.1.0]hex-1-ene
PubChem CID154515264
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2,3-dimethylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2CC2CC1C
InChIInChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h5,7H,3-4H2,1-2H3
InChIKeyJFYHSLMXCONWNQ-UHFFFAOYSA-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'}

Analyze 2,3-dimethylbicyclo[3.1.0]hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-Trimethylcyclopentene
CID 136316
7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
6-Isopropylidenebicyclo(3.1.0)hexane
CID 556529
1,2,4-Trimethylcyclopentene
CID 523224
2-Methyl-bicyclo[3.1.0]hex-2-ene
CID 13235329
3-Methylbicyclo[3.1.0]hex-2-ene
CID 13235330
6-Fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
CID 23516099
(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
CID 59080652
4-Ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene
CID 163808225
3,4-Dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
7-Pentan-3-ylidenebicyclo[4.1.0]heptane
CID 15447882
1-Cyclopropylideneethylcyclohexane
CID 85677904

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[3.1.0]hex-1-ene?
The IUPAC name of 2,3-dimethylbicyclo[3.1.0]hex-1-ene (CID 154515264) is 2,3-dimethylbicyclo[3.1.0]hex-1-ene.
What is the SMILES notation for 2,3-dimethylbicyclo[3.1.0]hex-1-ene?
The canonical SMILES for 2,3-dimethylbicyclo[3.1.0]hex-1-ene is CC1=C2CC2CC1C.
What is the InChIKey of 2,3-dimethylbicyclo[3.1.0]hex-1-ene?
The InChIKey is JFYHSLMXCONWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[3.1.0]hex-1-ene?
2,3-dimethylbicyclo[3.1.0]hex-1-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 2,3-dimethylbicyclo[3.1.0]hex-1-ene is sourced from PubChem (CID 154515264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).