1-morpholin-4-yl-2-(4-nitrophenyl)ethanone

C12H14N2O4 — CID 5170165

IUPAC1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-1-3-11(4-2-10)14(16)17/h1-4H,5-9H2
InChIKeyXEWJEPSXWNILMA-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.00
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone

1-morpholin-4-yl-2-(4-nitrophenyl)ethanone (PubChem CID 5170165) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
PubChem CID5170165
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-1-3-11(4-2-10)14(16)17/h1-4H,5-9H2
InChIKeyXEWJEPSXWNILMA-UHFFFAOYSA-N
XLogP1.00
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.00
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)ethanone 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

2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
2-(4-nitrophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402554
2-(4-nitrophenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]ethanone
CID 96529063
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
2-(4-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2870850
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 126799978
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 119562587
1-(3-aminoazetidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 65245101
1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916
1-(4-cyclohexylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CID 1247704

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone (CID 5170165) is 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone?
The InChIKey is XEWJEPSXWNILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-1-3-11(4-2-10)14(16)17/h1-4H,5-9H2.
What are the key properties of 1-morpholin-4-yl-2-(4-nitrophenyl)ethanone?
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone has a molecular weight of 250.25 g/mol, XLogP of 1.00, 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)ethanone is sourced from PubChem (CID 5170165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).