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

C13H17FN2O2 — CID 170366828

IUPAC1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCC(F)Cn1cccc(N2C[C@@H](C)CC2=O)c1=O
InChIInChI=1S/C13H17FN2O2/c1-9-6-12(17)16(7-9)11-4-3-5-15(13(11)18)8-10(2)14/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyQWAXIAGHPCITQH-RGURZIINSA-N
MW252.29 g/mol
LogP1.58
Rot. Bonds3

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

1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one (PubChem CID 170366828) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
PubChem CID170366828
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCC(F)Cn1cccc(N2C[C@@H](C)CC2=O)c1=O
InChIInChI=1S/C13H17FN2O2/c1-9-6-12(17)16(7-9)11-4-3-5-15(13(11)18)8-10(2)14/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyQWAXIAGHPCITQH-RGURZIINSA-N
XLogP1.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The IUPAC name of 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one (CID 170366828) is 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The canonical SMILES for 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one is CC(F)Cn1cccc(N2C[C@@H](C)CC2=O)c1=O.
What is the InChIKey of 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
The InChIKey is QWAXIAGHPCITQH-RGURZIINSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-6-12(17)16(7-9)11-4-3-5-15(13(11)18)8-10(2)14/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one?
1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one is sourced from PubChem (CID 170366828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).