3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione

C30H26NO2P — CID 101071045

IUPAC3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C30H26NO2P/c1-22-18-20-24(21-19-22)31-29(32)23(2)28(30(31)33)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,23H,1-2H3
InChIKeyMHNRZBNZJILPCB-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.67
Rot. Bonds4

About 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione

3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione (PubChem CID 101071045) has the molecular formula C30H26NO2P and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione
PubChem CID101071045
Molecular FormulaC30H26NO2P
Molecular Weight463.52 g/mol
Exact Mass463.17
IUPAC Name3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C30H26NO2P/c1-22-18-20-24(21-19-22)31-29(32)23(2)28(30(31)33)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,23H,1-2H3
InChIKeyMHNRZBNZJILPCB-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(diphenylphosphoryl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 170695122
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine
CID 164683445
(1S,6R,7S)-4-(4-methylphenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 163169901
(15R,19S)-17-(4-methylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1375546
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(3S,3aR)-3-methyl-5-(4-methylphenyl)-2-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 102063324
(1S,2S,6S,7S)-10-benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98053249
4-(4-methylphenyl)-1,2,4-triazole-3,5-dione
CID 2760671
(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 98114210
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione (CID 101071045) is 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione?
The InChIKey is MHNRZBNZJILPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26NO2P/c1-22-18-20-24(21-19-22)31-29(32)23(2)28(30(31)33)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,23H,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione?
3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione has a molecular weight of 463.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-4-(triphenyl-λ5-phosphanylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 101071045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).