1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one

C13H18N2O3 — CID 170366813

IUPAC1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCOCCn1cccc(N2C[C@@H](C)CC2=O)c1=O
InChIInChI=1S/C13H18N2O3/c1-10-8-12(16)15(9-10)11-4-3-5-14(13(11)17)6-7-18-2/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyWECXAUZIVWSUNY-JTQLQIEISA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one

1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one (PubChem CID 170366813) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
PubChem CID170366813
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCOCCn1cccc(N2C[C@@H](C)CC2=O)c1=O
InChIInChI=1S/C13H18N2O3/c1-10-8-12(16)15(9-10)11-4-3-5-14(13(11)17)6-7-18-2/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyWECXAUZIVWSUNY-JTQLQIEISA-N
XLogP0.87
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one (CID 170366813) is 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one is COCCn1cccc(N2C[C@@H](C)CC2=O)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The InChIKey is WECXAUZIVWSUNY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-8-12(16)15(9-10)11-4-3-5-14(13(11)17)6-7-18-2/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one is sourced from PubChem (CID 170366813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).