(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide

C23H22NOP — CID 134920510

IUPAC(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide
SMILESCC/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c1-2-3-19-23(25)24-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-19H,2H2,1H3/b19-3+
InChIKeyXELNGHJSPLTBBC-QBROUFQSSA-N
MW359.41 g/mol
LogP4.66
Rot. Bonds5

About (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide

(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide (PubChem CID 134920510) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide
PubChem CID134920510
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide
SMILESCC/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c1-2-3-19-23(25)24-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-19H,2H2,1H3/b19-3+
InChIKeyXELNGHJSPLTBBC-QBROUFQSSA-N
XLogP4.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide?
The IUPAC name of (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide (CID 134920510) is (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide.
What is the SMILES notation for (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide?
The canonical SMILES for (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide is CC/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide?
The InChIKey is XELNGHJSPLTBBC-QBROUFQSSA-N. The full InChI is InChI=1S/C23H22NOP/c1-2-3-19-23(25)24-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-19H,2H2,1H3/b19-3+.
What are the key properties of (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide?
(E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide has a molecular weight of 359.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(triphenyl-λ5-phosphanylidene)pent-2-enamide is sourced from PubChem (CID 134920510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).