[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium

C30H32N2O3P+ — CID 18394663

IUPAC[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
SMILESC=CCOC(=O)N1CCC(N2CC[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1
InChIInChI=1S/C30H32N2O3P/c1-2-22-35-30(34)31-20-18-24(23-31)32-21-19-28(29(32)33)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h2-17,24,28H,1,18-23H2/q+1/t24?,28-/m0/s1
InChIKeyJXHXLMMDMBGSMN-AZKKKJBWSA-N
MW499.57 g/mol
LogP3.98
Rot. Bonds7

About [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium

[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 18394663) has the molecular formula C30H32N2O3P+ and a molecular weight of 499.57 g/mol. Its IUPAC name is [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
PubChem CID18394663
Molecular FormulaC30H32N2O3P+
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
SMILESC=CCOC(=O)N1CCC(N2CC[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1
InChIInChI=1S/C30H32N2O3P/c1-2-22-35-30(34)31-20-18-24(23-31)32-21-19-28(29(32)33)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h2-17,24,28H,1,18-23H2/q+1/t24?,28-/m0/s1
InChIKeyJXHXLMMDMBGSMN-AZKKKJBWSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18739444
[(3R)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 23550206
[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 59032337
prop-2-enyl 3-[3-[bromo(triphenyl)-λ5-phosphanyl]-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 140580447
(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10719020
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
(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
CID 10790361
prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate
CID 20800570
(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
CID 22403717
(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 11797445
3-phenyl-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid
CID 167722036
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium (CID 18394663) is [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium is C=CCOC(=O)N1CCC(N2CC[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1.
What is the InChIKey of [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is JXHXLMMDMBGSMN-AZKKKJBWSA-N. The full InChI is InChI=1S/C30H32N2O3P/c1-2-22-35-30(34)31-20-18-24(23-31)32-21-19-28(29(32)33)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h2-17,24,28H,1,18-23H2/q+1/t24?,28-/m0/s1.
What are the key properties of [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium?
[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 499.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 18394663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).