(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one

C8H13NO — CID 55299406

IUPAC(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)[C@@]12C[C@@H]1CNC2=O
InChIInChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyAKNQCGSUYQQFEX-SVRRBLITSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds1

About (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one

(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 55299406) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID55299406
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)[C@@]12C[C@@H]1CNC2=O
InChIInChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyAKNQCGSUYQQFEX-SVRRBLITSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one 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-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420
(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one
CID 90662195
3,3-dichloro-5-propan-2-ylpiperidin-2-one
CID 130006906
2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane
CID 91566423
5-amino-3,3-dimethylpiperidin-2-one
CID 131610906
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
CID 177136285
3-oxo-5-propan-2-yl-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonitrile
CID 159952537
(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 164674723
(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
CID 155905032
3,3-dichloro-4-methylpyrrolidin-2-one
CID 15408499
3,3-difluoro-4-methylpyrrolidin-2-one;ethane
CID 162680874
(1S,6S)-6-propan-2-yl-3-azabicyclo[4.1.0]heptan-2-one
CID 102114501

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one (CID 55299406) is (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one is CC(C)[C@@]12C[C@@H]1CNC2=O.
What is the InChIKey of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is AKNQCGSUYQQFEX-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1.
What are the key properties of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 55299406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).