1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

C8H13NO — CID 77427420

IUPAC1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2C1C
InChIInChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3
InChIKeyAMPOPAOFEZFOSK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds

About 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (PubChem CID 77427420) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
PubChem CID77427420
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2C1C
InChIInChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3
InChIKeyAMPOPAOFEZFOSK-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,5R)-3-acetyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 93498252
(2-bromo-4-methylphenyl)-[(1R,2R,5S)-2-methyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 70304946
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
methyl (3R)-1-acetyl-4-hydroxy-5-methylpyrrolidine-3-carboxylate
CID 54442436
1-[(1R,2S,5R)-3-acetyl-7,7-dimethyl-3-azabicyclo[3.2.0]heptan-2-yl]ethanone
CID 70333107
2-acetyl-2-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 167722081
tert-butyl (3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 147356037
1-[(1R,4R,5R)-5-(4-methylphenyl)-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 164585322
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
CID 70860436

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (CID 77427420) is 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is CC(=O)N1CC2CC2C1C.
What is the InChIKey of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The InChIKey is AMPOPAOFEZFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is sourced from PubChem (CID 77427420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).