4-amino-1-methylpyridin-2-one

C6H8N2O — CID 13378000

IUPAC4-amino-1-methylpyridin-2-one
SMILESCn1ccc(N)cc1=O
InChIInChI=1S/C6H8N2O/c1-8-3-2-5(7)4-6(8)9/h2-4H,7H2,1H3
InChIKeyCRGNLDFNDMPVBN-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.03
Rot. Bonds

About 4-amino-1-methylpyridin-2-one

4-amino-1-methylpyridin-2-one (PubChem CID 13378000) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-amino-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-amino-1-methylpyridin-2-one
PubChem CID13378000
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-amino-1-methylpyridin-2-one
SMILESCn1ccc(N)cc1=O
InChIInChI=1S/C6H8N2O/c1-8-3-2-5(7)4-6(8)9/h2-4H,7H2,1H3
InChIKeyCRGNLDFNDMPVBN-UHFFFAOYSA-N
XLogP-0.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyridin-2-one?
The IUPAC name of 4-amino-1-methylpyridin-2-one (CID 13378000) is 4-amino-1-methylpyridin-2-one.
What is the SMILES notation for 4-amino-1-methylpyridin-2-one?
The canonical SMILES for 4-amino-1-methylpyridin-2-one is Cn1ccc(N)cc1=O.
What is the InChIKey of 4-amino-1-methylpyridin-2-one?
The InChIKey is CRGNLDFNDMPVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8-3-2-5(7)4-6(8)9/h2-4H,7H2,1H3.
What are the key properties of 4-amino-1-methylpyridin-2-one?
4-amino-1-methylpyridin-2-one has a molecular weight of 124.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyridin-2-one is sourced from PubChem (CID 13378000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).