1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one

C11H19NO2 — CID 79191629

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)N1CC2CCC1C2
InChIInChI=1S/C11H19NO2/c1-8(13)2-5-11(14)12-7-9-3-4-10(12)6-9/h8-10,13H,2-7H2,1H3
InChIKeyKXKQGVJRPIVGPM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one

1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one (PubChem CID 79191629) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
PubChem CID79191629
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)N1CC2CCC1C2
InChIInChI=1S/C11H19NO2/c1-8(13)2-5-11(14)12-7-9-3-4-10(12)6-9/h8-10,13H,2-7H2,1H3
InChIKeyKXKQGVJRPIVGPM-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-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

(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one
CID 58803025
2-Ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 156829766
5-Hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one
CID 166670738
1-(5-Hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-one
CID 171590405
4-(Hydroxymethyl)-1-(2-methylcyclopentyl)pyrrolidin-2-one
CID 64209431
1-(1-Cyclopentylethyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 64210227
4-(1-Hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one
CID 72428644
4-Hydroxy-1-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 79191165
1-(2,3-Dimethylpiperidin-1-yl)-4-hydroxybutan-1-one
CID 79191383
1-(2-Azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one
CID 79191449
1-(2,3-Dimethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79191559
1-(2,4-Dimethylpiperidin-1-yl)-4-hydroxybutan-1-one
CID 79191866

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one (CID 79191629) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one is CC(O)CCC(=O)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one?
The InChIKey is KXKQGVJRPIVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)2-5-11(14)12-7-9-3-4-10(12)6-9/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one is sourced from PubChem (CID 79191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).