4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one

C11H12N2O2 — CID 22127296

IUPAC4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one
SMILESCN1CC=C(c2cc[nH]c(=O)c2)CC1=O
InChIInChI=1S/C11H12N2O2/c1-13-5-3-9(7-11(13)15)8-2-4-12-10(14)6-8/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyCDAPDVJCRBAJNF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.62
Rot. Bonds1

About 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one

4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one (PubChem CID 22127296) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one
PubChem CID22127296
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one
SMILESCN1CC=C(c2cc[nH]c(=O)c2)CC1=O
InChIInChI=1S/C11H12N2O2/c1-13-5-3-9(7-11(13)15)8-2-4-12-10(14)6-8/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyCDAPDVJCRBAJNF-UHFFFAOYSA-N
XLogP0.62
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one (CID 22127296) is 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one is CN1CC=C(c2cc[nH]c(=O)c2)CC1=O.
What is the InChIKey of 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is CDAPDVJCRBAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-5-3-9(7-11(13)15)8-2-4-12-10(14)6-8/h2-4,6H,5,7H2,1H3,(H,12,14).
What are the key properties of 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one?
4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 22127296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).