(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione

C23H20NO2P — CID 15858594

IUPAC(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione
SMILESC[C@@H]1NC(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H20NO2P/c1-17-21(25)22(23(26)24-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/t17-/m0/s1
InChIKeyBAJGELPBIKWJHE-KRWDZBQOSA-N
MW373.39 g/mol
LogP2.24
Rot. Bonds3

About (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione

(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione (PubChem CID 15858594) has the molecular formula C23H20NO2P and a molecular weight of 373.39 g/mol. Its IUPAC name is (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione
PubChem CID15858594
Molecular FormulaC23H20NO2P
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione
SMILESC[C@@H]1NC(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H20NO2P/c1-17-21(25)22(23(26)24-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/t17-/m0/s1
InChIKeyBAJGELPBIKWJHE-KRWDZBQOSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-methylazetidine-2,3-dione
CID 141376893
4,6-bis(triphenyl-λ5-phosphanylidene)cyclohexane-1,2,3,5-tetrone
CID 132604508
5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
CID 102146134
1,3-diethyl-5-(triphenyl-λ5-phosphanylidene)-1,3-diazinane-2,4,6-trione
CID 4068034
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
2-[(3R)-3-methyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid
CID 91594643
3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione
CID 139222180
(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
CID 102510066
3,4-dimethyl-2,3-dihydroisoindol-1-one
CID 56636550
2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
CID 59509224
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
CID 11087864
3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione
CID 101071045

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione (CID 15858594) is (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione is C[C@@H]1NC(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione?
The InChIKey is BAJGELPBIKWJHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20NO2P/c1-17-21(25)22(23(26)24-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione?
(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione has a molecular weight of 373.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione is sourced from PubChem (CID 15858594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).