4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one

C10H10N2O4 — CID 131262023

IUPAC4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc([N+](=O)[O-])ccc2O)CN1
InChIInChI=1S/C10H10N2O4/c13-9-2-1-7(12(15)16)4-8(9)6-3-10(14)11-5-6/h1-2,4,6,13H,3,5H2,(H,11,14)
InChIKeyCJFHWGUWEKNUTI-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.90
Rot. Bonds2

About 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one

4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one (PubChem CID 131262023) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
PubChem CID131262023
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc([N+](=O)[O-])ccc2O)CN1
InChIInChI=1S/C10H10N2O4/c13-9-2-1-7(12(15)16)4-8(9)6-3-10(14)11-5-6/h1-2,4,6,13H,3,5H2,(H,11,14)
InChIKeyCJFHWGUWEKNUTI-UHFFFAOYSA-N
XLogP0.90
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

2-cyclopropyl-4-nitrophenol
CID 58858109
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 118276984
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 129411077
(4R)-5,5-difluoro-4-(2-hydroxy-5-nitrophenyl)-1,3-oxazinan-2-one
CID 171187509
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303
4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 121221418
methyl (4R)-4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7572042
4-[(6-nitro-1H-benzimidazol-2-yl)amino]pyrrolidin-2-one
CID 107143727
azane;2,4-dinitrophenol;hydrate
CID 174664401
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4-nitrophenol
CID 3091754

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one (CID 131262023) is 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one is O=C1CC(c2cc([N+](=O)[O-])ccc2O)CN1.
What is the InChIKey of 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one?
The InChIKey is CJFHWGUWEKNUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9-2-1-7(12(15)16)4-8(9)6-3-10(14)11-5-6/h1-2,4,6,13H,3,5H2,(H,11,14).
What are the key properties of 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one?
4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 131262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).