2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

C24H24N3O3P — CID 134262772

IUPAC2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=[N+]([O-])CC(/C=C/c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H24N3O3P/c28-27(29)20-24(17-16-21-10-4-1-5-11-21)31(30)25(22-12-6-2-7-13-22)18-19-26(31)23-14-8-3-9-15-23/h1-17,24H,18-20H2/b17-16+
InChIKeyZUCCHQPEXHCLBH-WUKNDPDISA-N
MW433.45 g/mol
LogP5.57
Rot. Bonds7

About 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 134262772) has the molecular formula C24H24N3O3P and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID134262772
Molecular FormulaC24H24N3O3P
Molecular Weight433.45 g/mol
Exact Mass433.16
IUPAC Name2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=[N+]([O-])CC(/C=C/c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H24N3O3P/c28-27(29)20-24(17-16-21-10-4-1-5-11-21)31(30)25(22-12-6-2-7-13-22)18-19-26(31)23-14-8-3-9-15-23/h1-17,24H,18-20H2/b17-16+
InChIKeyZUCCHQPEXHCLBH-WUKNDPDISA-N
XLogP5.57
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(1-nitrobutan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 158241216
2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide
CID 134272232
2-[1-(2-fluorophenyl)-2-nitroethyl]-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide
CID 134272261
(3S)-3-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]thian-4-one
CID 46243616
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
[(E)-3-(nitromethyl)hept-1-enyl]benzene
CID 134966329
(NE)-N-[(E,3S)-3-(nitromethyl)-1,5-diphenylpent-4-enylidene]hydroxylamine
CID 134845945
cis-(2S,4S)-4-tert-butyl-2-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]cyclohexan-1-one
CID 46243714
(E,1S,2S)-1-bromo-1-nitro-4-phenylbut-3-en-2-ol
CID 25111497
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853
(S)-4-methyl-N-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]benzenesulfinamide
CID 11631301
[(E)-2-nitroethenyl]benzene
CID 5284459

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 134262772) is 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is O=[N+]([O-])CC(/C=C/c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is ZUCCHQPEXHCLBH-WUKNDPDISA-N. The full InChI is InChI=1S/C24H24N3O3P/c28-27(29)20-24(17-16-21-10-4-1-5-11-21)31(30)25(22-12-6-2-7-13-22)18-19-26(31)23-14-8-3-9-15-23/h1-17,24H,18-20H2/b17-16+.
What are the key properties of 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 433.45 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-nitro-4-phenylbut-3-en-2-yl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 134262772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).