4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one

C10H10F2N2O — CID 43521146

IUPAC4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2N2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2
InChIKeyCEUQMHUBKMHICK-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.03
Rot. Bonds1

About 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one

4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 43521146) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID43521146
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2N2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2
InChIKeyCEUQMHUBKMHICK-UHFFFAOYSA-N
XLogP1.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one (CID 43521146) is 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is CEUQMHUBKMHICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2.
What are the key properties of 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one?
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 43521146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).