ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate

C21H20NO2P — CID 5113068

IUPACethyl N-(triphenyl-lambda5-phosphanylidene)carbamate
SMILESCCOC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-24-21(23)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyYFYRZZRINGPTJO-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.32
Rot. Bonds4

About ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate

ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate (PubChem CID 5113068) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(triphenyl-lambda5-phosphanylidene)carbamate
PubChem CID5113068
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Nameethyl N-(triphenyl-lambda5-phosphanylidene)carbamate
SMILESCCOC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-24-21(23)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyYFYRZZRINGPTJO-UHFFFAOYSA-N
XLogP4.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate?
The IUPAC name of ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate (CID 5113068) is ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate.
What is the SMILES notation for ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate?
The canonical SMILES for ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate is CCOC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate?
The InChIKey is YFYRZZRINGPTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NO2P/c1-2-24-21(23)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate?
ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate has a molecular weight of 349.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(triphenyl-lambda5-phosphanylidene)carbamate is sourced from PubChem (CID 5113068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).