ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium

C35H48N2O3P+ — CID 142115012

IUPACethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium
SMILESC=C/C=C\C=C/C(C)[P+](c1ccccc1)(c1ccccc1)C1CCN(C2CCN(C(=O)OC(C)(C)C)C2)C1=O.CC
InChIInChI=1S/C33H42N2O3P.C2H6/c1-6-7-8-11-16-26(2)39(28-17-12-9-13-18-28,29-19-14-10-15-20-29)30-22-24-35(31(30)36)27-21-23-34(25-27)32(37)38-33(3,4)5;1-2/h6-20,26-27,30H,1,21-25H2,2-5H3;1-2H3/q+1;/b8-7-,16-11-;
InChIKeyKDEQLYIUYFZJGI-JSYHLYROSA-N
MW575.75 g/mol
LogP6.98
Rot. Bonds8

About ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium

ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium (PubChem CID 142115012) has the molecular formula C35H48N2O3P+ and a molecular weight of 575.75 g/mol. Its IUPAC name is ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium.

Molecular Properties

Compound Nameethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium
PubChem CID142115012
Molecular FormulaC35H48N2O3P+
Molecular Weight575.75 g/mol
Exact Mass575.34
IUPAC Nameethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium
SMILESC=C/C=C\C=C/C(C)[P+](c1ccccc1)(c1ccccc1)C1CCN(C2CCN(C(=O)OC(C)(C)C)C2)C1=O.CC
InChIInChI=1S/C33H42N2O3P.C2H6/c1-6-7-8-11-16-26(2)39(28-17-12-9-13-18-28,29-19-14-10-15-20-29)30-22-24-35(31(30)36)27-21-23-34(25-27)32(37)38-33(3,4)5;1-2/h6-20,26-27,30H,1,21-25H2,2-5H3;1-2H3/q+1;/b8-7-,16-11-;
InChIKeyKDEQLYIUYFZJGI-JSYHLYROSA-N
XLogP6.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.75
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium with MolForge

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Related Compounds

[(3R)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 23550206
[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18394663
[(3R)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18739444
tert-butyl (3R)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430292
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 59032337
tert-butyl (1R,6S)-9-benzoyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 11558996
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl (3R,4S)-4-benzyl-3-fluoropiperidine-1-carboxylate
CID 129389302

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium?
The IUPAC name of ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium (CID 142115012) is ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium.
What is the SMILES notation for ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium?
The canonical SMILES for ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium is C=C/C=C\C=C/C(C)[P+](c1ccccc1)(c1ccccc1)C1CCN(C2CCN(C(=O)OC(C)(C)C)C2)C1=O.CC.
What is the InChIKey of ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium?
The InChIKey is KDEQLYIUYFZJGI-JSYHLYROSA-N. The full InChI is InChI=1S/C33H42N2O3P.C2H6/c1-6-7-8-11-16-26(2)39(28-17-12-9-13-18-28,29-19-14-10-15-20-29)30-22-24-35(31(30)36)27-21-23-34(25-27)32(37)38-33(3,4)5;1-2/h6-20,26-27,30H,1,21-25H2,2-5H3;1-2H3/q+1;/b8-7-,16-11-;.
What are the key properties of ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium?
ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium has a molecular weight of 575.75 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-[(3Z,5Z)-octa-3,5,7-trien-2-yl]-diphenylphosphanium is sourced from PubChem (CID 142115012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).