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

C11H13FN2O — CID 43521142

IUPAC4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(F)ccc1N1CC(N)CC1=O
InChIInChI=1S/C11H13FN2O/c1-7-4-8(12)2-3-10(7)14-6-9(13)5-11(14)15/h2-4,9H,5-6,13H2,1H3
InChIKeyUEEXBQPXMYKUEV-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.20
Rot. Bonds1

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

4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 43521142) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
PubChem CID43521142
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(F)ccc1N1CC(N)CC1=O
InChIInChI=1S/C11H13FN2O/c1-7-4-8(12)2-3-10(7)14-6-9(13)5-11(14)15/h2-4,9H,5-6,13H2,1H3
InChIKeyUEEXBQPXMYKUEV-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-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168699736
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 93492773
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one (CID 43521142) is 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one is Cc1cc(F)ccc1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is UEEXBQPXMYKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-4-8(12)2-3-10(7)14-6-9(13)5-11(14)15/h2-4,9H,5-6,13H2,1H3.
What are the key properties of 4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
4-amino-1-(4-fluoro-2-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-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 43521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).