ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate

C14H18N2O2 — CID 12537598

IUPACethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(N(C)C)cc12
InChIInChI=1S/C14H18N2O2/c1-5-18-14(17)13-9(2)15-12-7-6-10(16(3)4)8-11(12)13/h6-8,15H,5H2,1-4H3
InChIKeyFWAWBBPJLUASMH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.72
Rot. Bonds3

About ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate

ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate (PubChem CID 12537598) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
PubChem CID12537598
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(N(C)C)cc12
InChIInChI=1S/C14H18N2O2/c1-5-18-14(17)13-9(2)15-12-7-6-10(16(3)4)8-11(12)13/h6-8,15H,5H2,1-4H3
InChIKeyFWAWBBPJLUASMH-UHFFFAOYSA-N
XLogP2.72
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
ethyl 5-(dimethylamino)-3-formyl-1H-indole-2-carboxylate
CID 82214174
ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride
CID 134108985
ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576482
ethyl 2-methyl-5-(oxane-4-carbonyloxy)-1H-indole-3-carboxylate
CID 71892020
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 2-methyl-5-(3-piperidin-1-ylpropoxy)-1H-indole-3-carboxylate
CID 127030511
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164
ethyl 6-(dimethylamino)-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576467
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate (CID 12537598) is ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate is CCOC(=O)c1c(C)[nH]c2ccc(N(C)C)cc12.
What is the InChIKey of ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate?
The InChIKey is FWAWBBPJLUASMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-18-14(17)13-9(2)15-12-7-6-10(16(3)4)8-11(12)13/h6-8,15H,5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate?
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 12537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).