1-[2-(4-nitrophenyl)acetyl]azetidin-2-one

C11H10N2O4 — CID 71616492

IUPAC1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
SMILESO=C1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N2O4/c14-10-5-6-12(10)11(15)7-8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2
InChIKeyDGQGTSRYQLZNIC-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.90
Rot. Bonds3

About 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one

1-[2-(4-nitrophenyl)acetyl]azetidin-2-one (PubChem CID 71616492) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one.

Molecular Properties

Compound Name1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
PubChem CID71616492
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
SMILESO=C1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N2O4/c14-10-5-6-12(10)11(15)7-8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2
InChIKeyDGQGTSRYQLZNIC-UHFFFAOYSA-N
XLogP0.90
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.90
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-[2-(4-nitrophenyl)acetyl]azetidin-2-one 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
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-(4-nitrophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402554
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
azetidin-2-one;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;tritritiophosphane
CID 158904241
1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 37161321
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 126799978
1-(3-aminoazetidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 65245101
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 103730598
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one?
The IUPAC name of 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one (CID 71616492) is 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one.
What is the SMILES notation for 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one?
The canonical SMILES for 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one is O=C1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one?
The InChIKey is DGQGTSRYQLZNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10-5-6-12(10)11(15)7-8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2.
What are the key properties of 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one?
1-[2-(4-nitrophenyl)acetyl]azetidin-2-one has a molecular weight of 234.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenyl)acetyl]azetidin-2-one is sourced from PubChem (CID 71616492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).