5-methanimidoyl-1H-pyridin-2-one

C6H6N2O — CID 136506812

IUPAC5-methanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C/c1ccc(=O)[nH]c1
InChIInChI=1S/C6H6N2O/c7-3-5-1-2-6(9)8-4-5/h1-4,7H,(H,8,9)/b7-3+
InChIKeyPISDDVJVYLPMSR-XVNBXDOJSA-N
MW122.13 g/mol
LogP0.37
Rot. Bonds1

About 5-methanimidoyl-1H-pyridin-2-one

5-methanimidoyl-1H-pyridin-2-one (PubChem CID 136506812) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-methanimidoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methanimidoyl-1H-pyridin-2-one
PubChem CID136506812
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-methanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C/c1ccc(=O)[nH]c1
InChIInChI=1S/C6H6N2O/c7-3-5-1-2-6(9)8-4-5/h1-4,7H,(H,8,9)/b7-3+
InChIKeyPISDDVJVYLPMSR-XVNBXDOJSA-N
XLogP0.37
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methanimidoyl-1H-pyridin-2-one?
The IUPAC name of 5-methanimidoyl-1H-pyridin-2-one (CID 136506812) is 5-methanimidoyl-1H-pyridin-2-one.
What is the SMILES notation for 5-methanimidoyl-1H-pyridin-2-one?
The canonical SMILES for 5-methanimidoyl-1H-pyridin-2-one is [H]/N=C/c1ccc(=O)[nH]c1.
What is the InChIKey of 5-methanimidoyl-1H-pyridin-2-one?
The InChIKey is PISDDVJVYLPMSR-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H6N2O/c7-3-5-1-2-6(9)8-4-5/h1-4,7H,(H,8,9)/b7-3+.
What are the key properties of 5-methanimidoyl-1H-pyridin-2-one?
5-methanimidoyl-1H-pyridin-2-one has a molecular weight of 122.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-1H-pyridin-2-one is sourced from PubChem (CID 136506812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).