1-cyanoprop-2-enyl(triphenyl)phosphanium

C22H19NP+ — CID 88703859

IUPAC1-cyanoprop-2-enyl(triphenyl)phosphanium
SMILESC=CC(C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NP/c1-2-19(18-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1H2/q+1
InChIKeyUVEHSWDLOLRFAQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.06
Rot. Bonds5

About 1-cyanoprop-2-enyl(triphenyl)phosphanium

1-cyanoprop-2-enyl(triphenyl)phosphanium (PubChem CID 88703859) has the molecular formula C22H19NP+ and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-cyanoprop-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1-cyanoprop-2-enyl(triphenyl)phosphanium
PubChem CID88703859
Molecular FormulaC22H19NP+
Molecular Weight328.38 g/mol
Exact Mass328.12
IUPAC Name1-cyanoprop-2-enyl(triphenyl)phosphanium
SMILESC=CC(C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NP/c1-2-19(18-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1H2/q+1
InChIKeyUVEHSWDLOLRFAQ-UHFFFAOYSA-N
XLogP4.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyanoprop-2-enyl(triphenyl)phosphanium?
The IUPAC name of 1-cyanoprop-2-enyl(triphenyl)phosphanium (CID 88703859) is 1-cyanoprop-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 1-cyanoprop-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 1-cyanoprop-2-enyl(triphenyl)phosphanium is C=CC(C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyanoprop-2-enyl(triphenyl)phosphanium?
The InChIKey is UVEHSWDLOLRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NP/c1-2-19(18-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1H2/q+1.
What are the key properties of 1-cyanoprop-2-enyl(triphenyl)phosphanium?
1-cyanoprop-2-enyl(triphenyl)phosphanium has a molecular weight of 328.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoprop-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 88703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).