1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one

C12H16N2O3 — CID 47016407

IUPAC1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CN(C(=O)Cn2ccccc2=O)CCO1
InChIInChI=1S/C12H16N2O3/c1-10-8-14(6-7-17-10)12(16)9-13-5-3-2-4-11(13)15/h2-5,10H,6-9H2,1H3
InChIKeyNILRFSHPKOMAPZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.10
Rot. Bonds2

About 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one

1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 47016407) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
PubChem CID47016407
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CN(C(=O)Cn2ccccc2=O)CCO1
InChIInChI=1S/C12H16N2O3/c1-10-8-14(6-7-17-10)12(16)9-13-5-3-2-4-11(13)15/h2-5,10H,6-9H2,1H3
InChIKeyNILRFSHPKOMAPZ-UHFFFAOYSA-N
XLogP0.10
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (CID 47016407) is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is CC1CN(C(=O)Cn2ccccc2=O)CCO1.
What is the InChIKey of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is NILRFSHPKOMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10-8-14(6-7-17-10)12(16)9-13-5-3-2-4-11(13)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 47016407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).