1-ethenyl-3-methylbicyclo[3.1.0]hexane

C9H14 — CID 123677157

IUPAC1-ethenyl-3-methylbicyclo[3.1.0]hexane
SMILESC=CC12CC(C)CC1C2
InChIInChI=1S/C9H14/c1-3-9-5-7(2)4-8(9)6-9/h3,7-8H,1,4-6H2,2H3
InChIKeySYVUQIRVDQOSON-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 1-ethenyl-3-methylbicyclo[3.1.0]hexane

1-ethenyl-3-methylbicyclo[3.1.0]hexane (PubChem CID 123677157) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethenyl-3-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-ethenyl-3-methylbicyclo[3.1.0]hexane
PubChem CID123677157
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethenyl-3-methylbicyclo[3.1.0]hexane
SMILESC=CC12CC(C)CC1C2
InChIInChI=1S/C9H14/c1-3-9-5-7(2)4-8(9)6-9/h3,7-8H,1,4-6H2,2H3
InChIKeySYVUQIRVDQOSON-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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 1-ethenyl-3-methylbicyclo[3.1.0]hexane?
The IUPAC name of 1-ethenyl-3-methylbicyclo[3.1.0]hexane (CID 123677157) is 1-ethenyl-3-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for 1-ethenyl-3-methylbicyclo[3.1.0]hexane?
The canonical SMILES for 1-ethenyl-3-methylbicyclo[3.1.0]hexane is C=CC12CC(C)CC1C2.
What is the InChIKey of 1-ethenyl-3-methylbicyclo[3.1.0]hexane?
The InChIKey is SYVUQIRVDQOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-5-7(2)4-8(9)6-9/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 1-ethenyl-3-methylbicyclo[3.1.0]hexane?
1-ethenyl-3-methylbicyclo[3.1.0]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123677157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).