1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone

C9H15NO — CID 70331344

IUPAC1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone
SMILESCC(=O)C1CC[C@@H]2CC2N1C
InChIInChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyKMPGYHPVYZHIRY-AFPNSQJFSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds1

About 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone

1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone (PubChem CID 70331344) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone
PubChem CID70331344
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone
SMILESCC(=O)C1CC[C@@H]2CC2N1C
InChIInChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyKMPGYHPVYZHIRY-AFPNSQJFSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-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

1-(2-methyl-2-azabicyclo[4.2.0]octan-3-yl)ethanone
CID 58849808
1-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridin-2-yl)ethanone
CID 58849926
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone
CID 58849784
(2R,3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 11286855
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471931
(2S,5R)-5-ethynyl-1-methylpyrrolidine-2-carboxylic acid;(1S,3S,5S)-2-methyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 162010122
bis((2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid);2,3-dihydroxybutanedioic acid
CID 11398216
2-methyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 170366889
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491
2,2-dimethyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 169320620

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone?
The IUPAC name of 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone (CID 70331344) is 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone.
What is the SMILES notation for 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone?
The canonical SMILES for 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone is CC(=O)C1CC[C@@H]2CC2N1C.
What is the InChIKey of 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone?
The InChIKey is KMPGYHPVYZHIRY-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone?
1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-2-methyl-2-azabicyclo[4.1.0]heptan-3-yl]ethanone is sourced from PubChem (CID 70331344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).