4-azatricyclo[5.2.1.02,6]decan-3-one

C9H13NO — CID 25073258

IUPAC4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1NCC2C3CCC(C3)C12
InChIInChI=1S/C9H13NO/c11-9-8-6-2-1-5(3-6)7(8)4-10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyWKXVMLDGXPRZRY-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.78
Rot. Bonds

About 4-azatricyclo[5.2.1.02,6]decan-3-one

4-azatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 25073258) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-azatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name4-azatricyclo[5.2.1.02,6]decan-3-one
PubChem CID25073258
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1NCC2C3CCC(C3)C12
InChIInChI=1S/C9H13NO/c11-9-8-6-2-1-5(3-6)7(8)4-10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyWKXVMLDGXPRZRY-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-azatricyclo[5.2.1.02,6]decan-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

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 4-azatricyclo[5.2.1.02,6]decan-3-one (CID 25073258) is 4-azatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 4-azatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 4-azatricyclo[5.2.1.02,6]decan-3-one is O=C1NCC2C3CCC(C3)C12.
What is the InChIKey of 4-azatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is WKXVMLDGXPRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-8-6-2-1-5(3-6)7(8)4-10-9/h5-8H,1-4H2,(H,10,11).
What are the key properties of 4-azatricyclo[5.2.1.02,6]decan-3-one?
4-azatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 151.21 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 25073258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).