1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one

C10H11N3O4 — CID 168703542

IUPAC1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESNc1ccc([N+](=O)[O-])cc1N1CC(O)CC1=O
InChIInChI=1S/C10H11N3O4/c11-8-2-1-6(13(16)17)3-9(8)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5,11H2
InChIKeyUPPGOUPVOBXGIG-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.27
Rot. Bonds2

About 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one

1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703542) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703542
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESNc1ccc([N+](=O)[O-])cc1N1CC(O)CC1=O
InChIInChI=1S/C10H11N3O4/c11-8-2-1-6(13(16)17)3-9(8)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5,11H2
InChIKeyUPPGOUPVOBXGIG-UHFFFAOYSA-N
XLogP0.27
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702065
4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168703544
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697723
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
1-(2-carboxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691696
[1-[2-(hydroxymethyl)-5-nitrophenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682911
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
1-(4-acetyl-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168701929

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one (CID 168703542) is 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one is Nc1ccc([N+](=O)[O-])cc1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is UPPGOUPVOBXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-8-2-1-6(13(16)17)3-9(8)12-5-7(14)4-10(12)15/h1-3,7,14H,4-5,11H2.
What are the key properties of 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one?
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 237.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).