3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide

C10H16N2O2 — CID 62739950

IUPAC3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESNC(=O)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H16N2O2/c11-10(14)3-4-12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2,(H2,11,14)
InChIKeyTXTHLGODIUZBPQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.06
Rot. Bonds3

About 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide

3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (PubChem CID 62739950) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
PubChem CID62739950
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESNC(=O)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H16N2O2/c11-10(14)3-4-12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2,(H2,11,14)
InChIKeyTXTHLGODIUZBPQ-UHFFFAOYSA-N
XLogP0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The IUPAC name of 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (CID 62739950) is 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The canonical SMILES for 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is NC(=O)CCN1C2CCC1CC(=O)C2.
What is the InChIKey of 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The InChIKey is TXTHLGODIUZBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-10(14)3-4-12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2,(H2,11,14).
What are the key properties of 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is sourced from PubChem (CID 62739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).