(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C8H11NO2 — CID 59880292

IUPAC(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCN1C(=O)[C@@H]2C(C)[C@@H]2C1=O
InChIInChI=1S/C8H11NO2/c1-3-9-7(10)5-4(2)6(5)8(9)11/h4-6H,3H2,1-2H3/t4?,5-,6+
InChIKeyUBJTUWTZECFGAU-GOHHTPAQSA-N
MW153.18 g/mol
LogP0.26
Rot. Bonds1

About (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 59880292) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID59880292
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCN1C(=O)[C@@H]2C(C)[C@@H]2C1=O
InChIInChI=1S/C8H11NO2/c1-3-9-7(10)5-4(2)6(5)8(9)11/h4-6H,3H2,1-2H3/t4?,5-,6+
InChIKeyUBJTUWTZECFGAU-GOHHTPAQSA-N
XLogP0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione 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,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 59880292) is (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CCN1C(=O)[C@@H]2C(C)[C@@H]2C1=O.
What is the InChIKey of (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is UBJTUWTZECFGAU-GOHHTPAQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-9-7(10)5-4(2)6(5)8(9)11/h4-6H,3H2,1-2H3/t4?,5-,6+.
What are the key properties of (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
(1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 59880292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).