3-methylbicyclo[3.1.0]hex-2-ene

C7H10 — CID 13235330

IUPAC3-methylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CC2CC2C1
InChIInChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3
InChIKeyFWJQEXVJHCOITO-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About 3-methylbicyclo[3.1.0]hex-2-ene

3-methylbicyclo[3.1.0]hex-2-ene (PubChem CID 13235330) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 3-methylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name3-methylbicyclo[3.1.0]hex-2-ene
PubChem CID13235330
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name3-methylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CC2CC2C1
InChIInChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3
InChIKeyFWJQEXVJHCOITO-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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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 3-methylbicyclo[3.1.0]hex-2-ene (CID 13235330) is 3-methylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 3-methylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 3-methylbicyclo[3.1.0]hex-2-ene is CC1=CC2CC2C1.
What is the InChIKey of 3-methylbicyclo[3.1.0]hex-2-ene?
The InChIKey is FWJQEXVJHCOITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3.
What are the key properties of 3-methylbicyclo[3.1.0]hex-2-ene?
3-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 3-methylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 13235330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).