methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

C17H22N2O3 — CID 83984021

IUPACmethyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOCCN1Cc2cc3c(C(=O)OC)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O3/c1-4-22-6-5-19-9-12-7-14-15(17(20)21-3)11-18(2)16(14)8-13(12)10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZCWSOBUKKMMUTL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.32
Rot. Bonds5

About methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (PubChem CID 83984021) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
PubChem CID83984021
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOCCN1Cc2cc3c(C(=O)OC)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O3/c1-4-22-6-5-19-9-12-7-14-15(17(20)21-3)11-18(2)16(14)8-13(12)10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZCWSOBUKKMMUTL-UHFFFAOYSA-N
XLogP2.32
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
CID 112540852
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
CID 83984047
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
CID 83983597
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate
CID 83983991
2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
CID 112540994
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
CID 83984473
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The IUPAC name of methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (CID 83984021) is methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.
What is the SMILES notation for methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The canonical SMILES for methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is CCOCCN1Cc2cc3c(C(=O)OC)cn(C)c3cc2C1.
What is the InChIKey of methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The InChIKey is ZCWSOBUKKMMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-22-6-5-19-9-12-7-14-15(17(20)21-3)11-18(2)16(14)8-13(12)10-19/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is sourced from PubChem (CID 83984021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).