(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium

C25H25NOP+ — CID 10790361

IUPAC(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
SMILESC=CCN1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H25NOP/c1-2-19-26-20-18-24(25(26)27)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24H,1,18-20H2/q+1
InChIKeyGTVZGJZSAGVWHV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.77
Rot. Bonds6

About (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium

(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium (PubChem CID 10790361) has the molecular formula C25H25NOP+ and a molecular weight of 386.46 g/mol. Its IUPAC name is (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
PubChem CID10790361
Molecular FormulaC25H25NOP+
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
SMILESC=CCN1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H25NOP/c1-2-19-26-20-18-24(25(26)27)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24H,1,18-20H2/q+1
InChIKeyGTVZGJZSAGVWHV-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.77
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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Related Compounds

[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](triphenyl)phosphanium bromide
CID 24197585
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652
Pyrrolidin-1-yl(triphenylstannyl)methanone
CID 14028202
Rac-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]-triphenylphosphonium bromide
CID 10505810
[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 10505811
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 87795389
3-[Bromo(triphenyl)-lambda5-phosphanyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 145826099
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
Diphenyl(dibutylcarba-moylmethyl)phosphine
CID 15769528
[2-(Diethylamino)-2-oxoethyl]-triphenylphosphanium bromide
CID 85687272
diphenyl-N-methyl-N-propylcarbamoylmethylphosphine
CID 129694718

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium?
The IUPAC name of (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium (CID 10790361) is (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium.
What is the SMILES notation for (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium?
The canonical SMILES for (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium is C=CCN1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium?
The InChIKey is GTVZGJZSAGVWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOP/c1-2-19-26-20-18-24(25(26)27)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24H,1,18-20H2/q+1.
What are the key properties of (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium?
(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium has a molecular weight of 386.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium is sourced from PubChem (CID 10790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).