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

C22H20NOP — CID 134920386

IUPAC(E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide
SMILESC/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyVLWFZWISZWHSMO-SWGQDTFXSA-N
MW345.38 g/mol
LogP4.27
Rot. Bonds4

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

(E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide (PubChem CID 134920386) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide
PubChem CID134920386
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide
SMILESC/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyVLWFZWISZWHSMO-SWGQDTFXSA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.27
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)but-2-enamide?
The IUPAC name of (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide (CID 134920386) is (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide.
What is the SMILES notation for (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide?
The canonical SMILES for (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide is C/C=C/C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide?
The InChIKey is VLWFZWISZWHSMO-SWGQDTFXSA-N. The full InChI is InChI=1S/C22H20NOP/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+.
What are the key properties of (E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide?
(E)-N-(triphenyl-λ5-phosphanylidene)but-2-enamide has a molecular weight of 345.38 g/mol, XLogP of 4.27, 4 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)but-2-enamide is sourced from PubChem (CID 134920386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).