4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one

C10H10N2O5 — CID 168703544

IUPAC4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H10N2O5/c13-7-4-10(15)11(5-7)8-2-1-6(12(16)17)3-9(8)14/h1-3,7,13-14H,4-5H2
InChIKeyJTVFHLDLOMEIEM-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.40
Rot. Bonds2

About 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one

4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one (PubChem CID 168703544) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
PubChem CID168703544
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H10N2O5/c13-7-4-10(15)11(5-7)8-2-1-6(12(16)17)3-9(8)14/h1-3,7,13-14H,4-5H2
InChIKeyJTVFHLDLOMEIEM-UHFFFAOYSA-N
XLogP0.40
TPSA103.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.40
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

1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
4-(aminomethyl)-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168660857
1-(2-hydroxy-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671735
1-(2-ethyl-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702065
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
1-(2-hydroxy-4-nitrophenyl)piperidin-2-one
CID 58962790
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
1-(4-acetyl-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168701929
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641
[1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676957
1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702047
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one (CID 168703544) is 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one is O=C1CC(O)CN1c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is JTVFHLDLOMEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-7-4-10(15)11(5-7)8-2-1-6(12(16)17)3-9(8)14/h1-3,7,13-14H,4-5H2.
What are the key properties of 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one?
4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 238.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168703544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).