dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate

C21H21NO4 — CID 171976789

IUPACdimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)N=C(c2ccccc2)C1(C)C(=O)OC
InChIInChI=1S/C21H21NO4/c1-21(20(24)26-3)16(19(23)25-2)17(14-10-6-4-7-11-14)22-18(21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKeyCRFFQWODANMBKS-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.20
Rot. Bonds4

About dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate

dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate (PubChem CID 171976789) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate
PubChem CID171976789
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namedimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)N=C(c2ccccc2)C1(C)C(=O)OC
InChIInChI=1S/C21H21NO4/c1-21(20(24)26-3)16(19(23)25-2)17(14-10-6-4-7-11-14)22-18(21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKeyCRFFQWODANMBKS-UHFFFAOYSA-N
XLogP3.20
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
CID 10685281
methyl 3-hydroxy-1,4-dimethyl-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 134966986
methyl (4S,5S)-5-benzyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
CID 11793583
dimethyl 2-(4-chlorophenyl)-4-phenyl-2H-1,3-oxazole-5,5-dicarboxylate
CID 122376450
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
methyl (4R)-5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate
CID 11436612
methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 102441654
dimethyl (1S,2R)-3,6-diphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 10665399
methyl 4-(4,4-dimethyl-5-phenylpyrazol-3-yl)benzoate
CID 10780981
dimethyl (1R,7R,8R,9R)-1,7-diphenyl-4-oxa-10-thia-3,5-diazatricyclo[5.2.1.02,6]deca-2,5-diene-8,9-dicarboxylate
CID 98238392
6-O-ethyl 2-O,5-O-dimethyl (1S,2S,5R,6R,7S,8R)-3,4,8-triphenyltricyclo[3.2.1.02,7]oct-3-ene-2,5,6-tricarboxylate
CID 11800166

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate (CID 171976789) is dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate is COC(=O)C1C(c2ccccc2)N=C(c2ccccc2)C1(C)C(=O)OC.
What is the InChIKey of dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate?
The InChIKey is CRFFQWODANMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-21(20(24)26-3)16(19(23)25-2)17(14-10-6-4-7-11-14)22-18(21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3.
What are the key properties of dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate?
dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate is sourced from PubChem (CID 171976789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).