1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one

C15H11N3O5 — CID 102076312

IUPAC1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c19-15-9-13(10-4-2-1-3-5-10)16(15)12-7-6-11(17(20)21)8-14(12)18(22)23/h1-8,13H,9H2
InChIKeyFWUHHCOPSUDTPI-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one

1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one (PubChem CID 102076312) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one
PubChem CID102076312
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c19-15-9-13(10-4-2-1-3-5-10)16(15)12-7-6-11(17(20)21)8-14(12)18(22)23/h1-8,13H,9H2
InChIKeyFWUHHCOPSUDTPI-UHFFFAOYSA-N
XLogP2.98
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine
CID 102373762
2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10925945
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
2-(2,4-dinitrophenyl)-1-[morpholin-4-yl(phenyl)methyl]-5-phenylpyrazolidin-3-ol
CID 134155626
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
(3S,5S)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperidine
CID 7275416
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
1-[1-(2,4-dinitrophenyl)piperidin-4-yl]-3-phenylurea
CID 60570399

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one?
The IUPAC name of 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one (CID 102076312) is 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one?
The canonical SMILES for 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one is O=C1CC(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one?
The InChIKey is FWUHHCOPSUDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-15-9-13(10-4-2-1-3-5-10)16(15)12-7-6-11(17(20)21)8-14(12)18(22)23/h1-8,13H,9H2.
What are the key properties of 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one?
1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one has a molecular weight of 313.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 102076312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).