6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one

C8H10N2O2 — CID 11062752

IUPAC6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one
SMILESCO/N=C(\C)c1cccc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-6(10-12-2)7-4-3-5-8(11)9-7/h3-5H,1-2H3,(H,9,11)/b10-6+
InChIKeyAHDMOEPAQWUQEO-UXBLZVDNSA-N
MW166.18 g/mol
LogP0.75
Rot. Bonds2

About 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one

6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one (PubChem CID 11062752) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one
PubChem CID11062752
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one
SMILESCO/N=C(\C)c1cccc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-6(10-12-2)7-4-3-5-8(11)9-7/h3-5H,1-2H3,(H,9,11)/b10-6+
InChIKeyAHDMOEPAQWUQEO-UXBLZVDNSA-N
XLogP0.75
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one (CID 11062752) is 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one is CO/N=C(\C)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The InChIKey is AHDMOEPAQWUQEO-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(10-12-2)7-4-3-5-8(11)9-7/h3-5H,1-2H3,(H,9,11)/b10-6+.
What are the key properties of 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one?
6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 11062752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).