ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate

C23H22N2O2 — CID 102434677

IUPACethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cn(C)c3ccccc23)n1Cc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-3-27-23(26)22-14-13-21(25(22)15-17-9-5-4-6-10-17)19-16-24(2)20-12-8-7-11-18(19)20/h4-14,16H,3,15H2,1-2H3
InChIKeyZCORNNHWVHIYSG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.87
Rot. Bonds5

About ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate

ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate (PubChem CID 102434677) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate
PubChem CID102434677
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nameethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cn(C)c3ccccc23)n1Cc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-3-27-23(26)22-14-13-21(25(22)15-17-9-5-4-6-10-17)19-16-24(2)20-12-8-7-11-18(19)20/h4-14,16H,3,15H2,1-2H3
InChIKeyZCORNNHWVHIYSG-UHFFFAOYSA-N
XLogP4.87
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate
CID 58305182
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide
CID 66547513
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
ethyl 5-(1-benzylindol-3-yl)-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 141254427
ethyl 1-benzyl-5-[1-[(4-fluorophenyl)methyl]indol-3-yl]pyrazole-3-carboxylate
CID 141254425
ethyl 1-benzyl-4-[2-(4-chloroanilino)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 118863200
ethyl 5-benzyl-4-oxopyrano[3,2-b]indole-2-carboxylate
CID 10020576
ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
CID 10049503
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate (CID 102434677) is ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate is CCOC(=O)c1ccc(-c2cn(C)c3ccccc23)n1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate?
The InChIKey is ZCORNNHWVHIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-27-23(26)22-14-13-21(25(22)15-17-9-5-4-6-10-17)19-16-24(2)20-12-8-7-11-18(19)20/h4-14,16H,3,15H2,1-2H3.
What are the key properties of ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate?
ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate is sourced from PubChem (CID 102434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).