methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate

C24H21NO2 — CID 11834966

IUPACmethyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyUNOMEGDBPZQJGZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.87
Rot. Bonds4

About methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate

methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate (PubChem CID 11834966) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate
PubChem CID11834966
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Namemethyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyUNOMEGDBPZQJGZ-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 6-methyl-3,4-diphenyl-4,5-dihydropentalene-1-carboxylate
CID 102265228
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
methyl (4S)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
CID 124530326
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
trimethyl 2,4,6,7-tetraphenylcyclohepta-1,4,6-triene-1,3,5-tricarboxylate
CID 132820007
methyl (1R,4S)-3,5,6-triphenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 11610608
dimethyl 2-[(7aS)-2-phenyl-1,4,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-4-ium-3-ylidene]propanedioate
CID 101070076
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate?
The IUPAC name of methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate (CID 11834966) is methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate.
What is the SMILES notation for methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate?
The canonical SMILES for methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate is COC(=O)C1=C(c2ccccc2)C(c2ccccc2)CN1c1ccccc1.
What is the InChIKey of methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate?
The InChIKey is UNOMEGDBPZQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3.
What are the key properties of methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate?
methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate is sourced from PubChem (CID 11834966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).