3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one

C8H10N2O — CID 142498982

IUPAC3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one
SMILESC/N=C(\C)c1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-6(9-2)7-4-3-5-10-8(7)11/h3-5H,1-2H3,(H,10,11)/b9-6+
InChIKeyHUZFEZDFXRPAMV-RMKNXTFCSA-N
MW150.18 g/mol
LogP0.81
Rot. Bonds1

About 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one

3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one (PubChem CID 142498982) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one
PubChem CID142498982
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one
SMILESC/N=C(\C)c1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-6(9-2)7-4-3-5-10-8(7)11/h3-5H,1-2H3,(H,10,11)/b9-6+
InChIKeyHUZFEZDFXRPAMV-RMKNXTFCSA-N
XLogP0.81
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate
CID 7220786
3-(2-bromoacetyl)-1H-pyridin-2-one
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3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
CID 85271929
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
3-hydroxy-1H-pyridin-2-one;iridium
CID 175012048
3-hydroxy-1H-pyridin-2-one;titanium
CID 87617255
3-hydroxy-1H-pyridin-2-one;naphthalene
CID 70567411
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-but-3-yn-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 114418972
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one (CID 142498982) is 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one is C/N=C(\C)c1ccc[nH]c1=O.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one?
The InChIKey is HUZFEZDFXRPAMV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(9-2)7-4-3-5-10-8(7)11/h3-5H,1-2H3,(H,10,11)/b9-6+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one?
3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one is sourced from PubChem (CID 142498982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).