3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene

C9H14 — CID 148521668

IUPAC3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene
SMILESCCC1C=C2CC2C1C
InChIInChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h4,6-7,9H,3,5H2,1-2H3
InChIKeyMONJHNHCCIQVLR-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene

3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene (PubChem CID 148521668) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene.

Molecular Properties

Compound Name3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene
PubChem CID148521668
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene
SMILESCCC1C=C2CC2C1C
InChIInChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h4,6-7,9H,3,5H2,1-2H3
InChIKeyMONJHNHCCIQVLR-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 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene?
The IUPAC name of 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene (CID 148521668) is 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene.
What is the SMILES notation for 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene?
The canonical SMILES for 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene is CCC1C=C2CC2C1C.
What is the InChIKey of 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene?
The InChIKey is MONJHNHCCIQVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene?
3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene 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 3-ethyl-4-methylbicyclo[3.1.0]hex-1-ene is sourced from PubChem (CID 148521668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).