5-amino-6-propanimidoyl-1H-pyridin-2-one

C8H11N3O — CID 145188084

IUPAC5-amino-6-propanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C(\CC)c1[nH]c(=O)ccc1N
InChIInChI=1S/C8H11N3O/c1-2-5(9)8-6(10)3-4-7(12)11-8/h3-4,9H,2,10H2,1H3,(H,11,12)/b9-5+
InChIKeyOYOUGDCGNWVOPQ-WEVVVXLNSA-N
MW165.20 g/mol
LogP0.73
Rot. Bonds2

About 5-amino-6-propanimidoyl-1H-pyridin-2-one

5-amino-6-propanimidoyl-1H-pyridin-2-one (PubChem CID 145188084) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-6-propanimidoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-propanimidoyl-1H-pyridin-2-one
PubChem CID145188084
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-amino-6-propanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C(\CC)c1[nH]c(=O)ccc1N
InChIInChI=1S/C8H11N3O/c1-2-5(9)8-6(10)3-4-7(12)11-8/h3-4,9H,2,10H2,1H3,(H,11,12)/b9-5+
InChIKeyOYOUGDCGNWVOPQ-WEVVVXLNSA-N
XLogP0.73
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-propanimidoyl-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-propanimidoyl-1H-pyridin-2-one (CID 145188084) is 5-amino-6-propanimidoyl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-propanimidoyl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-propanimidoyl-1H-pyridin-2-one is [H]/N=C(\CC)c1[nH]c(=O)ccc1N.
What is the InChIKey of 5-amino-6-propanimidoyl-1H-pyridin-2-one?
The InChIKey is OYOUGDCGNWVOPQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-5(9)8-6(10)3-4-7(12)11-8/h3-4,9H,2,10H2,1H3,(H,11,12)/b9-5+.
What are the key properties of 5-amino-6-propanimidoyl-1H-pyridin-2-one?
5-amino-6-propanimidoyl-1H-pyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-propanimidoyl-1H-pyridin-2-one is sourced from PubChem (CID 145188084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).