6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one

C11H10N4O — CID 175950673

IUPAC6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one
SMILES[N-]=[N+]=Nc1ccc(C2CC=CCC2=O)cn1
InChIInChI=1S/C11H10N4O/c12-15-14-11-6-5-8(7-13-11)9-3-1-2-4-10(9)16/h1-2,5-7,9H,3-4H2
InChIKeyYHXYXURLMCTCLS-UHFFFAOYSA-N
MW214.23 g/mol
LogP3.03
Rot. Bonds2

About 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one

6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one (PubChem CID 175950673) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one
PubChem CID175950673
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one
SMILES[N-]=[N+]=Nc1ccc(C2CC=CCC2=O)cn1
InChIInChI=1S/C11H10N4O/c12-15-14-11-6-5-8(7-13-11)9-3-1-2-4-10(9)16/h1-2,5-7,9H,3-4H2
InChIKeyYHXYXURLMCTCLS-UHFFFAOYSA-N
XLogP3.03
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-(6-azido-3-pyridinyl)cyclohex-3-en-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 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one?
The IUPAC name of 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one (CID 175950673) is 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one.
What is the SMILES notation for 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one?
The canonical SMILES for 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one is [N-]=[N+]=Nc1ccc(C2CC=CCC2=O)cn1.
What is the InChIKey of 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one?
The InChIKey is YHXYXURLMCTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-15-14-11-6-5-8(7-13-11)9-3-1-2-4-10(9)16/h1-2,5-7,9H,3-4H2.
What are the key properties of 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one?
6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one has a molecular weight of 214.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azido-3-pyridinyl)cyclohex-3-en-1-one is sourced from PubChem (CID 175950673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).