ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene

C8H15N — CID 91017861

IUPACethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene
SMILESCC.CN1C2C=CCC21
InChIInChI=1S/C6H9N.C2H6/c1-7-5-3-2-4-6(5)7;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyVEYFFFAYUBGFIV-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds

About ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene

ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene (PubChem CID 91017861) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Nameethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene
PubChem CID91017861
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene
SMILESCC.CN1C2C=CCC21
InChIInChI=1S/C6H9N.C2H6/c1-7-5-3-2-4-6(5)7;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyVEYFFFAYUBGFIV-UHFFFAOYSA-N
XLogP1.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene?
The IUPAC name of ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene (CID 91017861) is ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene is CC.CN1C2C=CCC21.
What is the InChIKey of ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene?
The InChIKey is VEYFFFAYUBGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-7-5-3-2-4-6(5)7;1-2/h2-3,5-6H,4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene?
ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene has a molecular weight of 125.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-6-azabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 91017861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).