1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one

C12H14N2O5 — CID 168702047

IUPAC1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESCCOc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O5/c1-2-19-9-3-4-10(11(6-9)14(17)18)13-7-8(15)5-12(13)16/h3-4,6,8,15H,2,5,7H2,1H3
InChIKeyWQCOVYRTYFGCOE-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.09
Rot. Bonds4

About 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one

1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702047) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702047
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESCCOc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O5/c1-2-19-9-3-4-10(11(6-9)14(17)18)13-7-8(15)5-12(13)16/h3-4,6,8,15H,2,5,7H2,1H3
InChIKeyWQCOVYRTYFGCOE-UHFFFAOYSA-N
XLogP1.09
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.09
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

4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
ethyl (3R)-1-(4-ethoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 95362028
1-(4-ethoxy-2-nitrophenyl)-4-ethynylpyrrolidin-2-one
CID 168500551
1-(4-acetyl-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168701929
1-(4-ethoxy-2-nitrophenyl)-2,5-dimethylpyrrole
CID 69275678
(3aR,7aS)-2-(4-ethoxy-2-nitrophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7065718
1-(2-ethyl-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702065
1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168702045
4-hydroxy-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168703544
1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703244
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one (CID 168702047) is 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one is CCOc1ccc(N2CC(O)CC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is WQCOVYRTYFGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-2-19-9-3-4-10(11(6-9)14(17)18)13-7-8(15)5-12(13)16/h3-4,6,8,15H,2,5,7H2,1H3.
What are the key properties of 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 266.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).