4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one

C8H8N4O4 — CID 168703641

IUPAC4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C8H8N4O4/c13-6-1-7(14)11(4-6)8-9-2-5(3-10-8)12(15)16/h2-3,6,13H,1,4H2
InChIKeyJFBBHCNIRLQEMZ-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.52
Rot. Bonds2

About 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one

4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168703641) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168703641
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C8H8N4O4/c13-6-1-7(14)11(4-6)8-9-2-5(3-10-8)12(15)16/h2-3,6,13H,1,4H2
InChIKeyJFBBHCNIRLQEMZ-UHFFFAOYSA-N
XLogP-0.52
TPSA109.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168703544
1-(2-ethyl-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702065
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
1,6-dimethyl-4-(5-nitropyrimidin-2-yl)piperazin-2-one
CID 136540501
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one (CID 168703641) is 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is JFBBHCNIRLQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-6-1-7(14)11(4-6)8-9-2-5(3-10-8)12(15)16/h2-3,6,13H,1,4H2.
What are the key properties of 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 224.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168703641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).