3-(3-azidoprop-1-enyl)-1H-pyridin-2-one

C8H8N4O — CID 169461306

IUPAC3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C8H8N4O/c9-12-11-6-2-4-7-3-1-5-10-8(7)13/h1-5H,6H2,(H,10,13)
InChIKeyIEWBMSHHYIOJJH-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.70
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one

3-(3-azidoprop-1-enyl)-1H-pyridin-2-one (PubChem CID 169461306) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
PubChem CID169461306
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C8H8N4O/c9-12-11-6-2-4-7-3-1-5-10-8(7)13/h1-5H,6H2,(H,10,13)
InChIKeyIEWBMSHHYIOJJH-UHFFFAOYSA-N
XLogP1.70
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one
CID 169473127
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
4-(3-azidoprop-1-enyl)-1H-indazole
CID 169461875
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one
CID 169462319

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one (CID 169461306) is 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one is [N-]=[N+]=NCC=Cc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one?
The InChIKey is IEWBMSHHYIOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-12-11-6-2-4-7-3-1-5-10-8(7)13/h1-5H,6H2,(H,10,13).
What are the key properties of 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one?
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one has a molecular weight of 176.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 169461306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).