3-(methyliminomethyl)-1H-pyridin-2-one

C7H8N2O — CID 163926335

IUPAC3-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-5H,1H3,(H,9,10)/b8-5+
InChIKeyREUJWLQCIFIMIF-VMPITWQZSA-N
MW136.15 g/mol
LogP0.42
Rot. Bonds1

About 3-(methyliminomethyl)-1H-pyridin-2-one

3-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 163926335) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID163926335
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-5H,1H3,(H,9,10)/b8-5+
InChIKeyREUJWLQCIFIMIF-VMPITWQZSA-N
XLogP0.42
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(methyliminomethyl)-1H-pyridin-2-one (CID 163926335) is 3-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(methyliminomethyl)-1H-pyridin-2-one is C/N=C/c1ccc[nH]c1=O.
What is the InChIKey of 3-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is REUJWLQCIFIMIF-VMPITWQZSA-N. The full InChI is InChI=1S/C7H8N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-5H,1H3,(H,9,10)/b8-5+.
What are the key properties of 3-(methyliminomethyl)-1H-pyridin-2-one?
3-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163926335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).