1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one

C10H9BrN2O4 — CID 79767866

IUPAC1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9BrN2O4/c11-8-2-1-6(3-9(8)13(16)17)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5H2
InChIKeyYGBKXPMRUQDNNE-UHFFFAOYSA-N
MW301.10 g/mol
LogP1.45
Rot. Bonds2

About 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one

1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 79767866) has the molecular formula C10H9BrN2O4 and a molecular weight of 301.10 g/mol. Its IUPAC name is 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID79767866
Molecular FormulaC10H9BrN2O4
Molecular Weight301.10 g/mol
Exact Mass299.97
IUPAC Name1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9BrN2O4/c11-8-2-1-6(3-9(8)13(16)17)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5H2
InChIKeyYGBKXPMRUQDNNE-UHFFFAOYSA-N
XLogP1.45
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-(4-bromo-3-nitrophenyl)pyrrolidin-2-one
CID 168505528
S-[1-(4-bromo-3-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706605
[1-(4-bromo-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674045
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703244
4-(bromomethyl)-1-(4-hydroxy-3-nitrophenyl)pyrrolidin-2-one
CID 168505534
1-(3-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691717
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691750
3-amino-1-(4-bromo-3-nitrophenyl)piperidin-2-one
CID 79768098
4-(bromomethyl)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-one
CID 168504409
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-nitrobenzoic acid
CID 168508850

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one (CID 79767866) is 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is YGBKXPMRUQDNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4/c11-8-2-1-6(3-9(8)13(16)17)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5H2.
What are the key properties of 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one?
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 301.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 79767866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).