3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one

C7H8N2O2 — CID 136967101

IUPAC3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(O)cc[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-4(8)6-5(10)2-3-9-7(6)11/h2-3,8H,1H3,(H2,9,10,11)/b8-4+
InChIKeyKHQULEPWSPURRH-XBXARRHUSA-N
MW152.15 g/mol
LogP0.47
Rot. Bonds1

About 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one

3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one (PubChem CID 136967101) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one
PubChem CID136967101
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(O)cc[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-4(8)6-5(10)2-3-9-7(6)11/h2-3,8H,1H3,(H2,9,10,11)/b8-4+
InChIKeyKHQULEPWSPURRH-XBXARRHUSA-N
XLogP0.47
TPSA76.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
CID 176566776
1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
CID 153401822
3-hydroxy-1H-pyridin-2-one;titanium
CID 87617255
3-hydroxy-1H-pyridin-2-one;iridium
CID 175012048
4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane
CID 158692295
4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
CID 54706342
N-[(2R)-1-cyclohexylpropan-2-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
CID 145296644
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one
CID 141453996
3-[(5-ethanimidoyl-4-methyl-2-pyridinyl)amino]-1H-pyrazin-2-one
CID 165125619
3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one
CID 123949712
3-acetyl-4-pentyl-1H-pyridin-2-one
CID 154981968
2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide
CID 114570784

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one (CID 136967101) is 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one is [H]/N=C(\C)c1c(O)cc[nH]c1=O.
What is the InChIKey of 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one?
The InChIKey is KHQULEPWSPURRH-XBXARRHUSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4(8)6-5(10)2-3-9-7(6)11/h2-3,8H,1H3,(H2,9,10,11)/b8-4+.
What are the key properties of 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one?
3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one has a molecular weight of 152.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 136967101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).