ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate

C23H22N2O2 — CID 132915432

IUPACethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2c(C)[nH]c3ccccc23)n(-c2ccccc2)c1C
InChIInChI=1S/C23H22N2O2/c1-4-27-23(26)19-14-21(25(16(19)3)17-10-6-5-7-11-17)22-15(2)24-20-13-9-8-12-18(20)22/h5-14,24H,4H2,1-3H3
InChIKeyLWRGAYHNLRUVQP-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.42
Rot. Bonds4

About ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate

ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate (PubChem CID 132915432) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate
PubChem CID132915432
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nameethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2c(C)[nH]c3ccccc23)n(-c2ccccc2)c1C
InChIInChI=1S/C23H22N2O2/c1-4-27-23(26)19-14-21(25(16(19)3)17-10-6-5-7-11-17)22-15(2)24-20-13-9-8-12-18(20)22/h5-14,24H,4H2,1-3H3
InChIKeyLWRGAYHNLRUVQP-UHFFFAOYSA-N
XLogP5.42
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(4-bromophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
CID 14339198
3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)benzenesulfonic acid
CID 10200089
ethyl 2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-phenylpyrrole-3-carboxylate
CID 11247902
ethyl 1,5-diphenyl-2-(trifluoromethyl)pyrrole-3-carboxylate
CID 134834275
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
ethyl 2-methyl-5-phenyl-1-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrole-3-carboxylate
CID 3322552
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 2-methyl-1-(2-nitrosophenyl)-5-phenylpyrrole-3-carboxylate
CID 163830402
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
ethyl 2-methyl-5-phenyl-1-[3-(2-phenylethylcarbamoyl)phenyl]pyrrole-3-carboxylate
CID 4621410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate (CID 132915432) is ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2c(C)[nH]c3ccccc23)n(-c2ccccc2)c1C.
What is the InChIKey of ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate?
The InChIKey is LWRGAYHNLRUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-27-23(26)19-14-21(25(16(19)3)17-10-6-5-7-11-17)22-15(2)24-20-13-9-8-12-18(20)22/h5-14,24H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate?
ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 132915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).