ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate

C19H22NO3P — CID 10854845

IUPACethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO3P/c1-2-23-19(21)20-15-9-14-18(20)24(22,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3
InChIKeyZOLQBFFFOMUZMB-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.58
Rot. Bonds4

About ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate

ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate (PubChem CID 10854845) has the molecular formula C19H22NO3P and a molecular weight of 343.36 g/mol. Its IUPAC name is ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
PubChem CID10854845
Molecular FormulaC19H22NO3P
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Nameethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO3P/c1-2-23-19(21)20-15-9-14-18(20)24(22,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3
InChIKeyZOLQBFFFOMUZMB-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Diphenylphosphoryl-1,3-oxazolidin-2-one
CID 878715
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
tert-Butyl (S)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate
CID 15083816
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
Ethyl 4-diphenylphosphanyl-2-[(diphenylphosphanyl)-methyl]-pyrrolidine-1-carboxylate
CID 88907993
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
Methyl 2-(diphenylphosphoryl)piperidine-1-carboxylate
CID 71410389
3-(2-Diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
CID 134944343
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[(3R)-3-diphenylphosphorylbutanoyl]-1,3-oxazolidin-2-one
CID 139256768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate (CID 10854845) is ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate?
The InChIKey is ZOLQBFFFOMUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO3P/c1-2-23-19(21)20-15-9-14-18(20)24(22,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3.
What are the key properties of ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate?
ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate has a molecular weight of 343.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10854845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).