1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one

C12H16N2O3 — CID 47155722

IUPAC1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one
SMILESCC1CN(C(=O)c2ccn(C)c(=O)c2)CCO1
InChIInChI=1S/C12H16N2O3/c1-9-8-14(5-6-17-9)12(16)10-3-4-13(2)11(15)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQJJXTNQTIBJMLC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.25
Rot. Bonds1

About 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one

1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one (PubChem CID 47155722) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one
PubChem CID47155722
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one
SMILESCC1CN(C(=O)c2ccn(C)c(=O)c2)CCO1
InChIInChI=1S/C12H16N2O3/c1-9-8-14(5-6-17-9)12(16)10-3-4-13(2)11(15)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQJJXTNQTIBJMLC-UHFFFAOYSA-N
XLogP0.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one (CID 47155722) is 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one is CC1CN(C(=O)c2ccn(C)c(=O)c2)CCO1.
What is the InChIKey of 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one?
The InChIKey is QJJXTNQTIBJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-8-14(5-6-17-9)12(16)10-3-4-13(2)11(15)7-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one?
1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylmorpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 47155722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).