1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one

C12H21NO2 — CID 63763771

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
SMILESCCCCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO2/c1-2-3-4-12(15)13-9-5-6-10(13)8-11(14)7-9/h9-11,14H,2-8H2,1H3
InChIKeyXSHAZAOPHMCWTI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one (PubChem CID 63763771) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
PubChem CID63763771
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
SMILESCCCCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO2/c1-2-3-4-12(15)13-9-5-6-10(13)8-11(14)7-9/h9-11,14H,2-8H2,1H3
InChIKeyXSHAZAOPHMCWTI-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-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

4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63769983
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
CID 65427706
4-hydroxy-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 79192626
3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one
CID 113375215
(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 141143444
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
3-(3-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 80700737
1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpentan-1-one
CID 134454469
4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63762538
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid
CID 107146118
3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
CID 63768013

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one (CID 63763771) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one is CCCCC(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one?
The InChIKey is XSHAZAOPHMCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-12(15)13-9-5-6-10(13)8-11(14)7-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one is sourced from PubChem (CID 63763771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).