6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one

C6H8N2O — CID 20644798

IUPAC6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one
SMILES[H]/N=C/C1=NCCC(=O)C1
InChIInChI=1S/C6H8N2O/c7-4-5-3-6(9)1-2-8-5/h4,7H,1-3H2/b7-4+
InChIKeyWKNZIXBDDKRSSQ-QPJJXVBHSA-N
MW124.14 g/mol
LogP0.44
Rot. Bonds1

About 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one

6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 20644798) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID20644798
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one
SMILES[H]/N=C/C1=NCCC(=O)C1
InChIInChI=1S/C6H8N2O/c7-4-5-3-6(9)1-2-8-5/h4,7H,1-3H2/b7-4+
InChIKeyWKNZIXBDDKRSSQ-QPJJXVBHSA-N
XLogP0.44
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3,5-dihydro-2H-pyridin-4-one
CID 20644738
carbanide;(4-oxo-3,5-dihydro-2H-pyridin-6-yl)methylideneazanide;uranium(2+)
CID 20644797
2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
5-amino-2-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91136729

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one (CID 20644798) is 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one is [H]/N=C/C1=NCCC(=O)C1.
What is the InChIKey of 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is WKNZIXBDDKRSSQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H8N2O/c7-4-5-3-6(9)1-2-8-5/h4,7H,1-3H2/b7-4+.
What are the key properties of 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one?
6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 124.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 20644798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).