1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one

C10H11BrN2O2 — CID 168703480

IUPAC1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
SMILESNc1cc(Br)ccc1N1CC(O)CC1=O
InChIInChI=1S/C10H11BrN2O2/c11-6-1-2-9(8(12)3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5,12H2
InChIKeyHHMVLRHJSUJPRE-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.13
Rot. Bonds1

About 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one

1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703480) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703480
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
SMILESNc1cc(Br)ccc1N1CC(O)CC1=O
InChIInChI=1S/C10H11BrN2O2/c11-6-1-2-9(8(12)3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5,12H2
InChIKeyHHMVLRHJSUJPRE-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.13
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)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
1-(2-amino-4-bromophenyl)azetidin-3-ol
CID 131204313
methyl 3-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702177
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702632
1-(2-amino-4-bromophenyl)piperidin-4-ol
CID 24695126
1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
CID 168701831
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505649
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
CID 168689299
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one (CID 168703480) is 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one is Nc1cc(Br)ccc1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is HHMVLRHJSUJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-6-1-2-9(8(12)3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5,12H2.
What are the key properties of 1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one?
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.13, 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-bromophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).