ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate

C24H24NO2P — CID 11143605

IUPACethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
SMILESC/C=C(/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C24H24NO2P/c1-3-23(24(26)27-4-2)25-28(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h3,5-19H,4H2,1-2H3/b23-3+
InChIKeyUJLSSDKJPMOXQQ-LTGYVZTRSA-N
MW389.44 g/mol
LogP4.63
Rot. Bonds6

About ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate

ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate (PubChem CID 11143605) has the molecular formula C24H24NO2P and a molecular weight of 389.44 g/mol. Its IUPAC name is ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
PubChem CID11143605
Molecular FormulaC24H24NO2P
Molecular Weight389.44 g/mol
Exact Mass389.15
IUPAC Nameethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
SMILESC/C=C(/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C24H24NO2P/c1-3-23(24(26)27-4-2)25-28(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h3,5-19H,4H2,1-2H3/b23-3+
InChIKeyUJLSSDKJPMOXQQ-LTGYVZTRSA-N
XLogP4.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(2-prop-2-enoxyphenyl)-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
CID 134869082
ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
CID 10917988
ethyl (Z)-3-[5-(2,2-diphenylethenylideneamino)-2-methylphenyl]-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
CID 10349359
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
ethyl (E)-2-(diphenylphosphorylamino)but-2-enoate
CID 12904300
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
ethyl 2-(benzylideneamino)hex-2-enoate
CID 54050285
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
(E)-1,4-diethoxy-4-oxo-3-(triphenyl-λ5-phosphanylidene)but-1-en-1-olate
CID 134872819
ethyl 5-methyl-2-(triphenyl-lambda5-phosphanylidene)hex-4-enoate
CID 10716806
ethyl 2-oxo-2-phenylacetate
CID 15349
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate?
The IUPAC name of ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate (CID 11143605) is ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate.
What is the SMILES notation for ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate?
The canonical SMILES for ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate is C/C=C(/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate?
The InChIKey is UJLSSDKJPMOXQQ-LTGYVZTRSA-N. The full InChI is InChI=1S/C24H24NO2P/c1-3-23(24(26)27-4-2)25-28(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h3,5-19H,4H2,1-2H3/b23-3+.
What are the key properties of ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate?
ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate has a molecular weight of 389.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate is sourced from PubChem (CID 11143605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).