4-(4-nitrophenyl)morpholin-3-one

C10H10N2O4 — CID 11447375

IUPAC4-(4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyOWMGEFWSGOTGAU-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.96
Rot. Bonds2

About 4-(4-nitrophenyl)morpholin-3-one

4-(4-nitrophenyl)morpholin-3-one (PubChem CID 11447375) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-nitrophenyl)morpholin-3-one
PubChem CID11447375
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-(4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyOWMGEFWSGOTGAU-UHFFFAOYSA-N
XLogP0.96
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)morpholin-3-one?
The IUPAC name of 4-(4-nitrophenyl)morpholin-3-one (CID 11447375) is 4-(4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-nitrophenyl)morpholin-3-one?
The canonical SMILES for 4-(4-nitrophenyl)morpholin-3-one is O=C1COCCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-nitrophenyl)morpholin-3-one?
The InChIKey is OWMGEFWSGOTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2.
What are the key properties of 4-(4-nitrophenyl)morpholin-3-one?
4-(4-nitrophenyl)morpholin-3-one has a molecular weight of 222.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 11447375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).