1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one

C11H13BrN2O2 — CID 168702632

IUPAC1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(Br)cc(N)c1N1CC(O)CC1=O
InChIInChI=1S/C11H13BrN2O2/c1-6-2-7(12)3-9(13)11(6)14-5-8(15)4-10(14)16/h2-3,8,15H,4-5,13H2,1H3
InChIKeySSVWJSOLGSXHEC-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one

1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702632) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702632
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(Br)cc(N)c1N1CC(O)CC1=O
InChIInChI=1S/C11H13BrN2O2/c1-6-2-7(12)3-9(13)11(6)14-5-8(15)4-10(14)16/h2-3,8,15H,4-5,13H2,1H3
InChIKeySSVWJSOLGSXHEC-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
1-(2-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085
3-amino-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702448
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one (CID 168702632) is 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one is Cc1cc(Br)cc(N)c1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is SSVWJSOLGSXHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6-2-7(12)3-9(13)11(6)14-5-8(15)4-10(14)16/h2-3,8,15H,4-5,13H2,1H3.
What are the key properties of 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 285.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).