(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one

C11H13BrN2O — CID 93094958

IUPAC(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2C[C@@H](N)CC2=O)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3/t8-/m0/s1
InChIKeyQHZJKJBQGDGBIT-QMMMGPOBSA-N
MW269.14 g/mol
LogP1.82
Rot. Bonds1

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

(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one (PubChem CID 93094958) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
PubChem CID93094958
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2C[C@@H](N)CC2=O)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3/t8-/m0/s1
InChIKeyQHZJKJBQGDGBIT-QMMMGPOBSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-(4-amino-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168699726
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
(4R)-4-[(2S,4S)-4-amino-2-methylpiperidine-1-carbonyl]-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 124692222
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303
(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
ethyl N-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamate
CID 46581535
4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168699934
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one (CID 93094958) is (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one is Cc1cc(N2C[C@@H](N)CC2=O)ccc1Br.
What is the InChIKey of (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is QHZJKJBQGDGBIT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-4-9(2-3-10(7)12)14-6-8(13)5-11(14)15/h2-4,8H,5-6,13H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one?
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 93094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).