(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine

C20H16NO3P — CID 10915051

IUPAC(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
SMILESO=P(/N=C/c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16NO3P/c22-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)21-14-16-11-12-19-20(13-16)24-15-23-19/h1-14H,15H2/b21-14+
InChIKeyYRHIKZFEFIEWOZ-KGENOOAVSA-N
MW349.33 g/mol
LogP3.76
Rot. Bonds4

About (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine

(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine (PubChem CID 10915051) has the molecular formula C20H16NO3P and a molecular weight of 349.33 g/mol. Its IUPAC name is (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine.

Molecular Properties

Compound Name(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
PubChem CID10915051
Molecular FormulaC20H16NO3P
Molecular Weight349.33 g/mol
Exact Mass349.09
IUPAC Name(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
SMILESO=P(/N=C/c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16NO3P/c22-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)21-14-16-11-12-19-20(13-16)24-15-23-19/h1-14H,15H2/b21-14+
InChIKeyYRHIKZFEFIEWOZ-KGENOOAVSA-N
XLogP3.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-1,3-benzodioxole
CID 6902899
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
1-N',2-N'-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]ethanediimidamide
CID 98572403
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
CID 5357673
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole
CID 132523246
(1,3-benzodioxol-5-ylmethylideneamino) benzoate
CID 2818079
(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
CID 11382689
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 57207956
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-nitrobenzamide
CID 693965
3-benzamido-N-(1,3-benzodioxol-5-ylmethylideneamino)benzamide
CID 71960327

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine?
The IUPAC name of (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine (CID 10915051) is (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine.
What is the SMILES notation for (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine?
The canonical SMILES for (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine is O=P(/N=C/c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine?
The InChIKey is YRHIKZFEFIEWOZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16NO3P/c22-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)21-14-16-11-12-19-20(13-16)24-15-23-19/h1-14H,15H2/b21-14+.
What are the key properties of (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine?
(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine has a molecular weight of 349.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine is sourced from PubChem (CID 10915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).