3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one

C11H14N2O3 — CID 103336976

IUPAC3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCC1CN(C(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C11H14N2O3/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyPRLPAVMCZQENKH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.24
Rot. Bonds1

About 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one

3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one (PubChem CID 103336976) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
PubChem CID103336976
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCC1CN(C(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C11H14N2O3/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyPRLPAVMCZQENKH-UHFFFAOYSA-N
XLogP0.24
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654877
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 103336925
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one (CID 103336976) is 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one is CC1CN(C(=O)c2c[nH]ccc2=O)CCO1.
What is the InChIKey of 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one?
The InChIKey is PRLPAVMCZQENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one?
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one has a molecular weight of 222.24 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103336976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).