2-azatricyclo[10.7.1.13,10]henicosan-11-one

C20H35NO — CID 134213240

IUPAC2-azatricyclo[10.7.1.13,10]henicosan-11-one
SMILESO=C1C2CCCCCCCC(C2)NC2CCCCCCC1C2
InChIInChI=1S/C20H35NO/c22-20-16-10-6-2-1-3-8-12-18(14-16)21-19-13-9-5-4-7-11-17(20)15-19/h16-19,21H,1-15H2
InChIKeyLNHUEQSQRGKOSD-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.01
Rot. Bonds

About 2-azatricyclo[10.7.1.13,10]henicosan-11-one

2-azatricyclo[10.7.1.13,10]henicosan-11-one (PubChem CID 134213240) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-azatricyclo[10.7.1.13,10]henicosan-11-one.

Molecular Properties

Compound Name2-azatricyclo[10.7.1.13,10]henicosan-11-one
PubChem CID134213240
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name2-azatricyclo[10.7.1.13,10]henicosan-11-one
SMILESO=C1C2CCCCCCCC(C2)NC2CCCCCCC1C2
InChIInChI=1S/C20H35NO/c22-20-16-10-6-2-1-3-8-12-18(14-16)21-19-13-9-5-4-7-11-17(20)15-19/h16-19,21H,1-15H2
InChIKeyLNHUEQSQRGKOSD-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azatricyclo[10.7.1.13,10]henicosan-11-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 2-azatricyclo[10.7.1.13,10]henicosan-11-one?
The IUPAC name of 2-azatricyclo[10.7.1.13,10]henicosan-11-one (CID 134213240) is 2-azatricyclo[10.7.1.13,10]henicosan-11-one.
What is the SMILES notation for 2-azatricyclo[10.7.1.13,10]henicosan-11-one?
The canonical SMILES for 2-azatricyclo[10.7.1.13,10]henicosan-11-one is O=C1C2CCCCCCCC(C2)NC2CCCCCCC1C2.
What is the InChIKey of 2-azatricyclo[10.7.1.13,10]henicosan-11-one?
The InChIKey is LNHUEQSQRGKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c22-20-16-10-6-2-1-3-8-12-18(14-16)21-19-13-9-5-4-7-11-17(20)15-19/h16-19,21H,1-15H2.
What are the key properties of 2-azatricyclo[10.7.1.13,10]henicosan-11-one?
2-azatricyclo[10.7.1.13,10]henicosan-11-one has a molecular weight of 305.51 g/mol, XLogP of 5.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[10.7.1.13,10]henicosan-11-one is sourced from PubChem (CID 134213240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).