dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate

C24H21N3O4 — CID 163112824

IUPACdimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)C1NC(C(=O)OC)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H21N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,21-22,25-27H,1-2H3
InChIKeyQWKIJIBGAGWNJJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.25
Rot. Bonds4

About dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate

dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate (PubChem CID 163112824) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate
PubChem CID163112824
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Namedimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)C1NC(C(=O)OC)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H21N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,21-22,25-27H,1-2H3
InChIKeyQWKIJIBGAGWNJJ-UHFFFAOYSA-N
XLogP3.25
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate with MolForge

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Related Compounds

methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
methyl 2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylate
CID 71342672
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl acetate;3-methyl-1H-indole
CID 90804638
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
CID 46218510
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate (CID 163112824) is dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate is COC(=O)C1NC(C(=O)OC)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate?
The InChIKey is QWKIJIBGAGWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,21-22,25-27H,1-2H3.
What are the key properties of dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate?
dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate is sourced from PubChem (CID 163112824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).