2-(1-azacyclotridecen-2-yl)cyclohexan-1-one

C18H31NO — CID 4096510

IUPAC2-(1-azacyclotridecen-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C18H31NO/c20-18-14-10-9-12-16(18)17-13-8-6-4-2-1-3-5-7-11-15-19-17/h16H,1-15H2/b19-17+
InChIKeyMTODEPJZNVUEGQ-HTXNQAPBSA-N
MW277.45 g/mol
LogP5.10
Rot. Bonds1

About 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one

2-(1-azacyclotridecen-2-yl)cyclohexan-1-one (PubChem CID 4096510) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-azacyclotridecen-2-yl)cyclohexan-1-one
PubChem CID4096510
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(1-azacyclotridecen-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C18H31NO/c20-18-14-10-9-12-16(18)17-13-8-6-4-2-1-3-5-7-11-15-19-17/h16H,1-15H2/b19-17+
InChIKeyMTODEPJZNVUEGQ-HTXNQAPBSA-N
XLogP5.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-azacyclotridecen-2-yl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one (CID 4096510) is 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one is O=C1CCCCC1/C1=N/CCCCCCCCCCC1.
What is the InChIKey of 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one?
The InChIKey is MTODEPJZNVUEGQ-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H31NO/c20-18-14-10-9-12-16(18)17-13-8-6-4-2-1-3-5-7-11-15-19-17/h16H,1-15H2/b19-17+.
What are the key properties of 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one?
2-(1-azacyclotridecen-2-yl)cyclohexan-1-one has a molecular weight of 277.45 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one is sourced from PubChem (CID 4096510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).