dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate

C27H25NO5 — CID 9499901

IUPACdimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H25NO5/c1-31-21-16-14-20(15-17-21)28-24(18-10-6-4-7-11-18)22(26(29)32-2)23(27(30)33-3)25(28)19-12-8-5-9-13-19/h4-17,24-25H,1-3H3/t24-,25-/m1/s1
InChIKeyRHPRKMPFXMHCCZ-JWQCQUIFSA-N
MW443.50 g/mol
LogP4.64
Rot. Bonds6

About dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate

dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate (PubChem CID 9499901) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
PubChem CID9499901
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Namedimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H25NO5/c1-31-21-16-14-20(15-17-21)28-24(18-10-6-4-7-11-18)22(26(29)32-2)23(27(30)33-3)25(28)19-12-8-5-9-13-19/h4-17,24-25H,1-3H3/t24-,25-/m1/s1
InChIKeyRHPRKMPFXMHCCZ-JWQCQUIFSA-N
XLogP4.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-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

dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
trimethyl (2R,5S)-5-(3-methoxyphenyl)-1-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 135069863
methyl (2R,5S)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 101242664
3-O,4-O-dimethyl 2-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 1-(4-methoxyphenyl)-5-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 101378263
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460
methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534
dimethyl (2S,3S)-1-(4-methoxyphenyl)aziridine-2,3-dicarboxylate
CID 15349099
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
ethyl (2R,3R)-1-(4-methoxyphenyl)-3-phenylaziridine-2-carboxylate
CID 11033818

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate (CID 9499901) is dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate?
The InChIKey is RHPRKMPFXMHCCZ-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H25NO5/c1-31-21-16-14-20(15-17-21)28-24(18-10-6-4-7-11-18)22(26(29)32-2)23(27(30)33-3)25(28)19-12-8-5-9-13-19/h4-17,24-25H,1-3H3/t24-,25-/m1/s1.
What are the key properties of dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate?
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate has a molecular weight of 443.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate is sourced from PubChem (CID 9499901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).