1-(3-azidopropyl)pyridin-2-one

C8H10N4O — CID 61396635

IUPAC1-(3-azidopropyl)pyridin-2-one
SMILES[N-]=[N+]=NCCCn1ccccc1=O
InChIInChI=1S/C8H10N4O/c9-11-10-5-3-7-12-6-2-1-4-8(12)13/h1-2,4,6H,3,5,7H2
InChIKeyGLWSXZMDFLPYFJ-UHFFFAOYSA-N
MW178.20 g/mol
LogP1.55
Rot. Bonds4

About 1-(3-azidopropyl)pyridin-2-one

1-(3-azidopropyl)pyridin-2-one (PubChem CID 61396635) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-(3-azidopropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-azidopropyl)pyridin-2-one
PubChem CID61396635
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1-(3-azidopropyl)pyridin-2-one
SMILES[N-]=[N+]=NCCCn1ccccc1=O
InChIInChI=1S/C8H10N4O/c9-11-10-5-3-7-12-6-2-1-4-8(12)13/h1-2,4,6H,3,5,7H2
InChIKeyGLWSXZMDFLPYFJ-UHFFFAOYSA-N
XLogP1.55
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)pyridin-2-one?
The IUPAC name of 1-(3-azidopropyl)pyridin-2-one (CID 61396635) is 1-(3-azidopropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-azidopropyl)pyridin-2-one?
The canonical SMILES for 1-(3-azidopropyl)pyridin-2-one is [N-]=[N+]=NCCCn1ccccc1=O.
What is the InChIKey of 1-(3-azidopropyl)pyridin-2-one?
The InChIKey is GLWSXZMDFLPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-11-10-5-3-7-12-6-2-1-4-8(12)13/h1-2,4,6H,3,5,7H2.
What are the key properties of 1-(3-azidopropyl)pyridin-2-one?
1-(3-azidopropyl)pyridin-2-one has a molecular weight of 178.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)pyridin-2-one is sourced from PubChem (CID 61396635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).