3-methylbicyclo[3.1.0]hex-1(5)-ene

C7H10 — CID 154515662

IUPAC3-methylbicyclo[3.1.0]hex-1(5)-ene
SMILESCC1CC2=C(C2)C1
InChIInChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h5H,2-4H2,1H3
InChIKeyQBNYTYIQZSWWIW-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds

About 3-methylbicyclo[3.1.0]hex-1(5)-ene

3-methylbicyclo[3.1.0]hex-1(5)-ene (PubChem CID 154515662) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 3-methylbicyclo[3.1.0]hex-1(5)-ene.

Molecular Properties

Compound Name3-methylbicyclo[3.1.0]hex-1(5)-ene
PubChem CID154515662
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name3-methylbicyclo[3.1.0]hex-1(5)-ene
SMILESCC1CC2=C(C2)C1
InChIInChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h5H,2-4H2,1H3
InChIKeyQBNYTYIQZSWWIW-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

1,2,3-Trimethylcyclopentene
CID 136316
p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
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
Cyclohexane, 1-methyl-2-(1-methylethylidene)-
CID 519172
1-Cyclopropylideneethylcyclohexane
CID 85677904
3-Methyl-2,4,5,6,7,7a-hexahydro-1H-indene
CID 13181413
2-Cyclopropylidene-1,4-dimethylcyclohexane
CID 54012682
7-Methylbicyclo[2.2.1]hept-1(7)-ene
CID 56997517

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.1.0]hex-1(5)-ene?
The IUPAC name of 3-methylbicyclo[3.1.0]hex-1(5)-ene (CID 154515662) is 3-methylbicyclo[3.1.0]hex-1(5)-ene.
What is the SMILES notation for 3-methylbicyclo[3.1.0]hex-1(5)-ene?
The canonical SMILES for 3-methylbicyclo[3.1.0]hex-1(5)-ene is CC1CC2=C(C2)C1.
What is the InChIKey of 3-methylbicyclo[3.1.0]hex-1(5)-ene?
The InChIKey is QBNYTYIQZSWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h5H,2-4H2,1H3.
What are the key properties of 3-methylbicyclo[3.1.0]hex-1(5)-ene?
3-methylbicyclo[3.1.0]hex-1(5)-ene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 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-1(5)-ene is sourced from PubChem (CID 154515662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).