1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one

C14H19FN2O — CID 62812484

IUPAC1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C14H19FN2O/c1-3-7-16-13-6-8-17(14(13)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,16H,3,6-8H2,1-2H3
InChIKeyZCJWRJPVRHHZGH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one

1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 62812484) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
PubChem CID62812484
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C14H19FN2O/c1-3-7-16-13-6-8-17(14(13)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,16H,3,6-8H2,1-2H3
InChIKeyZCJWRJPVRHHZGH-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one (CID 62812484) is 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(c2ccc(F)c(C)c2)C1=O.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is ZCJWRJPVRHHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-7-16-13-6-8-17(14(13)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,16H,3,6-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 62812484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).