2-methylbicyclo[3.2.0]hept-2-ene

C8H12 — CID 556722

IUPAC2-methylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CCC2CCC12
InChIInChI=1S/C8H12/c1-6-2-3-7-4-5-8(6)7/h2,7-8H,3-5H2,1H3
InChIKeyFOFZXESJJBECJJ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 2-methylbicyclo[3.2.0]hept-2-ene

2-methylbicyclo[3.2.0]hept-2-ene (PubChem CID 556722) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-methylbicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name2-methylbicyclo[3.2.0]hept-2-ene
PubChem CID556722
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-methylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CCC2CCC12
InChIInChI=1S/C8H12/c1-6-2-3-7-4-5-8(6)7/h2,7-8H,3-5H2,1H3
InChIKeyFOFZXESJJBECJJ-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'}

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Related Compounds

Bicyclo(3.2.0)hept-2-ene
CID 138924
Bicyclo(3.2.0)hept-1-ene
CID 140945
1-Ethyl-5-methyl-cyclopentene
CID 557171
Bicyclo(5.2.0)non-1-ene
CID 556476
Tricyclo[5.2.1.0(2,5)]dec-5(6)-ene
CID 561655
6-Methylenebicyclo[3.2.0]hept-2-ene
CID 561488
Tricyclo[4.3.1.08,10]deca-1,6-diene
CID 12592586
1-Ethyl-3,4-dimethylcyclobutene
CID 21428499
Tricyclo[4.2.0.02,4]oct-5-ene
CID 122372098
1,4,5-Trimethylcycloheptene
CID 123366932
3-Butyl-1-methylcyclopentene
CID 129658159
(3S,4S)-1,3,4-trimethylcyclopentene
CID 134881356

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[3.2.0]hept-2-ene?
The IUPAC name of 2-methylbicyclo[3.2.0]hept-2-ene (CID 556722) is 2-methylbicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for 2-methylbicyclo[3.2.0]hept-2-ene?
The canonical SMILES for 2-methylbicyclo[3.2.0]hept-2-ene is CC1=CCC2CCC12.
What is the InChIKey of 2-methylbicyclo[3.2.0]hept-2-ene?
The InChIKey is FOFZXESJJBECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-2-3-7-4-5-8(6)7/h2,7-8H,3-5H2,1H3.
What are the key properties of 2-methylbicyclo[3.2.0]hept-2-ene?
2-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 2-methylbicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 556722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).