ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate

C15H15NO2 — CID 11608421

IUPACethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)Cc1ccc(C)n1-2
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)11-5-7-14-12(8-11)9-13-6-4-10(2)16(13)14/h4-8H,3,9H2,1-2H3
InChIKeyJDBPBAQSNASTFE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.87
Rot. Bonds2

About ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate

ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate (PubChem CID 11608421) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate
PubChem CID11608421
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)Cc1ccc(C)n1-2
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)11-5-7-14-12(8-11)9-13-6-4-10(2)16(13)14/h4-8H,3,9H2,1-2H3
InChIKeyJDBPBAQSNASTFE-UHFFFAOYSA-N
XLogP2.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-4-(2-ethyl-5-methylpyrrol-1-yl)benzoate
CID 135076188
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
ethyl 4-amino-3-(1,3-dihydroisoindol-2-yl)benzoate
CID 82775125
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
ethyl 1-acetyl-2-oxo-3H-indole-6-carboxylate
CID 145183104
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 1-methyl-2H-quinoline-6-carboxylate
CID 57350988
ethyl 4-amino-3-(3,4-dimethylpyrrolidin-1-yl)benzoate
CID 82796275
ethyl 1-imino-2,3-dihydroindene-5-carboxylate
CID 89172914
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 1-(4-ethoxycarbonyl-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873676

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate?
The IUPAC name of ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate (CID 11608421) is ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate?
The canonical SMILES for ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate is CCOC(=O)c1ccc2c(c1)Cc1ccc(C)n1-2.
What is the InChIKey of ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate?
The InChIKey is JDBPBAQSNASTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)11-5-7-14-12(8-11)9-13-6-4-10(2)16(13)14/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate?
ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate is sourced from PubChem (CID 11608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).