4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one

C13H18N2O3 — CID 47029077

IUPAC4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-13(2)9-15(6-7-18-13)12(17)10-4-5-14(3)11(16)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVVGYOAARVAOMRD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.64
Rot. Bonds1

About 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one

4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one (PubChem CID 47029077) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
PubChem CID47029077
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-13(2)9-15(6-7-18-13)12(17)10-4-5-14(3)11(16)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVVGYOAARVAOMRD-UHFFFAOYSA-N
XLogP0.64
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one (CID 47029077) is 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one?
The InChIKey is VVGYOAARVAOMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)9-15(6-7-18-13)12(17)10-4-5-14(3)11(16)8-10/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one?
4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 47029077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).