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

C11H13FN2O — CID 62813427

IUPAC4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)ccc1F
InChIInChI=1S/C11H13FN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyJXGFGKWMLNHTPE-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.20
Rot. Bonds1

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

4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one (PubChem CID 62813427) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
PubChem CID62813427
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)ccc1F
InChIInChI=1S/C11H13FN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyJXGFGKWMLNHTPE-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(4-amino-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168699726
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168699934
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
1-[(3S)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402129

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one (CID 62813427) is 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CC(N)CC2=O)ccc1F.
What is the InChIKey of 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is JXGFGKWMLNHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one?
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 62813427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).