1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one

C13H16N2O4 — CID 2944496

IUPAC1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c1-10(13(16)14-6-8-19-9-7-14)11-2-4-12(5-3-11)15(17)18/h2-5,10H,6-9H2,1H3
InChIKeyNDELAUIXFAFOTJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.56
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one

1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one (PubChem CID 2944496) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one
PubChem CID2944496
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c1-10(13(16)14-6-8-19-9-7-14)11-2-4-12(5-3-11)15(17)18/h2-5,10H,6-9H2,1H3
InChIKeyNDELAUIXFAFOTJ-UHFFFAOYSA-N
XLogP1.56
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.56
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'}

Analyze 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one (CID 2944496) is 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one is CC(C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one?
The InChIKey is NDELAUIXFAFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-10(13(16)14-6-8-19-9-7-14)11-2-4-12(5-3-11)15(17)18/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one?
1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one has a molecular weight of 264.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-nitrophenyl)propan-1-one is sourced from PubChem (CID 2944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).