(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene

C9H15N — CID 55286804

IUPAC(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
SMILESC[C@]12CC=CC[C@@]1(C)NC2
InChIInChI=1S/C9H15N/c1-8-5-3-4-6-9(8,2)10-7-8/h3-4,10H,5-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyCBQLSJYNTCERDL-RKDXNWHRSA-N
MW137.23 g/mol
LogP1.70
Rot. Bonds

About (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene

(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene (PubChem CID 55286804) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene.

Molecular Properties

Compound Name(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
PubChem CID55286804
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
SMILESC[C@]12CC=CC[C@@]1(C)NC2
InChIInChI=1S/C9H15N/c1-8-5-3-4-6-9(8,2)10-7-8/h3-4,10H,5-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyCBQLSJYNTCERDL-RKDXNWHRSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-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 (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene?
The IUPAC name of (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene (CID 55286804) is (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene.
What is the SMILES notation for (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene?
The canonical SMILES for (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene is C[C@]12CC=CC[C@@]1(C)NC2.
What is the InChIKey of (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene?
The InChIKey is CBQLSJYNTCERDL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15N/c1-8-5-3-4-6-9(8,2)10-7-8/h3-4,10H,5-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene?
(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene has a molecular weight of 137.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene is sourced from PubChem (CID 55286804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).