methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate

C13H12N2O2 — CID 12678626

IUPACmethyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate
SMILESCO/C(=N\n1ccccc1=O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(11-7-3-2-4-8-11)14-15-10-6-5-9-12(15)16/h2-10H,1H3/b14-13-
InChIKeyLRKRXBPKOPUALB-YPKPFQOOSA-N
MW228.25 g/mol
LogP1.70
Rot. Bonds2

About methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate

methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate (PubChem CID 12678626) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate.

Molecular Properties

Compound Namemethyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate
PubChem CID12678626
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate
SMILESCO/C(=N\n1ccccc1=O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(11-7-3-2-4-8-11)14-15-10-6-5-9-12(15)16/h2-10H,1H3/b14-13-
InChIKeyLRKRXBPKOPUALB-YPKPFQOOSA-N
XLogP1.70
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate?
The IUPAC name of methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate (CID 12678626) is methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate.
What is the SMILES notation for methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate?
The canonical SMILES for methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate is CO/C(=N\n1ccccc1=O)c1ccccc1.
What is the InChIKey of methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate?
The InChIKey is LRKRXBPKOPUALB-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(11-7-3-2-4-8-11)14-15-10-6-5-9-12(15)16/h2-10H,1H3/b14-13-.
What are the key properties of methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate?
methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate has a molecular weight of 228.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-N-(2-oxo-1-pyridinyl)benzenecarboximidate is sourced from PubChem (CID 12678626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).