9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one

C12H19NO2 — CID 134794350

IUPAC9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H19NO2/c1-2-4-12(15)13-9-5-3-6-10(13)8-11(14)7-9/h9-10H,2-8H2,1H3
InChIKeyGZLAIJJBQSOWEO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds2

About 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one

9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134794350) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134794350
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H19NO2/c1-2-4-12(15)13-9-5-3-6-10(13)8-11(14)7-9/h9-10H,2-8H2,1H3
InChIKeyGZLAIJJBQSOWEO-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-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

psi-Pelletierine
CID 11096
Pseudopelletierine
CID 6602484
9-Azabicyclo[3.3.1]nonan-3-one, hydrochloride
CID 2724428
Pseudopelletierine hydrochloride
CID 6419951
N-Boc-9-azabicyclo[3.3.1]nonan-3-one
CID 45790088
InChI=1/C9H13NO2/c11-8-4-5-10-7(6-8)2-1-3-9(10)12/h7H,1-6H
CID 12345001
9-Propanoyl-9-azabicyclo[3.3.1]nonan-3-one
CID 134791922
9-(2-Methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134792193
9-(Cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134793427
9-(Cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134793696
tert-butyl (1S,2S,5R)-2-fluoro-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676244
Tert-butyl endo-2-fluoro-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676249

Frequently Asked Questions

What is the IUPAC name of 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one (CID 134794350) is 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one is CCCC(=O)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is GZLAIJJBQSOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-4-12(15)13-9-5-3-6-10(13)8-11(14)7-9/h9-10H,2-8H2,1H3.
What are the key properties of 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one?
9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butanoyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134794350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).