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

C12H14N2O4 — CID 827569

IUPAC1-morpholin-4-yl-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-3-1-2-4-11(10)14(16)17/h1-4H,5-9H2
InChIKeyHHNWUVFHZWJTRU-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.00
Rot. Bonds3

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

1-morpholin-4-yl-2-(2-nitrophenyl)ethanone (PubChem CID 827569) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-nitrophenyl)ethanone
PubChem CID827569
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-morpholin-4-yl-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-3-1-2-4-11(10)14(16)17/h1-4H,5-9H2
InChIKeyHHNWUVFHZWJTRU-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone (CID 827569) is 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone?
The InChIKey is HHNWUVFHZWJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-12(13-5-7-18-8-6-13)9-10-3-1-2-4-11(10)14(16)17/h1-4H,5-9H2.
What are the key properties of 1-morpholin-4-yl-2-(2-nitrophenyl)ethanone?
1-morpholin-4-yl-2-(2-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-(2-nitrophenyl)ethanone is sourced from PubChem (CID 827569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).