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

C11H12N2O5 — CID 168702293

IUPAC4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O5/c1-18-8-2-3-9(10(5-8)13(16)17)12-6-7(14)4-11(12)15/h2-3,5,7,14H,4,6H2,1H3
InChIKeyCERBVINBJBDQJT-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.70
Rot. Bonds3

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

4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one (PubChem CID 168702293) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
PubChem CID168702293
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O5/c1-18-8-2-3-9(10(5-8)13(16)17)12-6-7(14)4-11(12)15/h2-3,5,7,14H,4,6H2,1H3
InChIKeyCERBVINBJBDQJT-UHFFFAOYSA-N
XLogP0.70
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702047
1-(4-acetyl-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168701929
4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 168702287
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
1-(5-methoxy-2-nitrophenyl)-4-sulfanylpyrrolidin-2-one
CID 168708565
S-[1-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705239
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351512
ethyl (3R)-1-(4-ethoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 95362028
(1S,2R,6S,7S)-4-(4-methoxy-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99720176
(1S,2R,6R,7S)-4-(4-methoxy-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99720177
(1S,2S,6S,7S)-4-(4-methoxy-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99720175
methyl 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694834

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one (CID 168702293) is 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one is COc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one?
The InChIKey is CERBVINBJBDQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-18-8-2-3-9(10(5-8)13(16)17)12-6-7(14)4-11(12)15/h2-3,5,7,14H,4,6H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one?
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one has a molecular weight of 252.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168702293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).