1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10N2O6 — CID 168691750

IUPAC1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(O)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H10N2O6/c14-9-2-1-7(4-8(9)13(18)19)12-5-6(11(16)17)3-10(12)15/h1-2,4,6,14H,3,5H2,(H,16,17)
InChIKeyOEAXIWGMEQSASY-UHFFFAOYSA-N
MW266.21 g/mol
LogP0.74
Rot. Bonds3

About 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691750) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691750
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(O)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H10N2O6/c14-9-2-1-7(4-8(9)13(18)19)12-5-6(11(16)17)3-10(12)15/h1-2,4,6,14H,3,5H2,(H,16,17)
InChIKeyOEAXIWGMEQSASY-UHFFFAOYSA-N
XLogP0.74
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694693
(3S)-1-(3-nitro-4-pyrrolidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 25470839
1-(3-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691717
4-(bromomethyl)-1-(4-hydroxy-3-nitrophenyl)pyrrolidin-2-one
CID 168505534
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
(3R)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076167
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
[1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677044
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691750) is 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(O)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OEAXIWGMEQSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c14-9-2-1-7(4-8(9)13(18)19)12-5-6(11(16)17)3-10(12)15/h1-2,4,6,14H,3,5H2,(H,16,17).
What are the key properties of 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 266.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).