2-methylbicyclo[3.1.0]hex-2-ene

C7H10 — CID 13235329

IUPAC2-methylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2CC12
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h2,6-7H,3-4H2,1H3
InChIKeyWTDPKNJVPQPMKF-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About 2-methylbicyclo[3.1.0]hex-2-ene

2-methylbicyclo[3.1.0]hex-2-ene (PubChem CID 13235329) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2-methylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name2-methylbicyclo[3.1.0]hex-2-ene
PubChem CID13235329
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2-methylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2CC12
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h2,6-7H,3-4H2,1H3
InChIKeyWTDPKNJVPQPMKF-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.97
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-Bisabolene
CID 86597
alpha-Bisabolene, (E)-
CID 5315468
(-)-beta-Curcumene
CID 14014430
(Z)-alpha-Bisabolene
CID 5352653
(E,R)-alpha-bisabolene
CID 13252682
Sylvestrene
CID 12304570
(R)-1-Methyl-5-(1-methylvinyl)cyclohexene
CID 102625
cis-Bicyclo(4.1.0)hept-3-ene
CID 27923
1,5-Dimethylcyclopentene
CID 86014

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 2-methylbicyclo[3.1.0]hex-2-ene (CID 13235329) is 2-methylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 2-methylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 2-methylbicyclo[3.1.0]hex-2-ene is CC1=CCC2CC12.
What is the InChIKey of 2-methylbicyclo[3.1.0]hex-2-ene?
The InChIKey is WTDPKNJVPQPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h2,6-7H,3-4H2,1H3.
What are the key properties of 2-methylbicyclo[3.1.0]hex-2-ene?
2-methylbicyclo[3.1.0]hex-2-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 13235329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).