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

C14H18N2O2 — CID 146012562

IUPACethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CN(C)C)ccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-4-18-14(17)13-8-11-7-10(9-16(2)3)5-6-12(11)15-13/h5-8,15H,4,9H2,1-3H3
InChIKeyLMCWVDDGVKWOMR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds4

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

ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate (PubChem CID 146012562) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
PubChem CID146012562
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CN(C)C)ccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-4-18-14(17)13-8-11-7-10(9-16(2)3)5-6-12(11)15-13/h5-8,15H,4,9H2,1-3H3
InChIKeyLMCWVDDGVKWOMR-UHFFFAOYSA-N
XLogP2.41
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
CID 31853659
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
ethyl 5-(4-aminophenyl)sulfanyl-1H-indole-2-carboxylate
CID 10247192
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethyl 5-[bis(trifluoromethylsulfonyl)amino]-1H-indole-2-carboxylate
CID 18185333

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate (CID 146012562) is ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(CN(C)C)ccc2[nH]1.
What is the InChIKey of ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate?
The InChIKey is LMCWVDDGVKWOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-18-14(17)13-8-11-7-10(9-16(2)3)5-6-12(11)15-13/h5-8,15H,4,9H2,1-3H3.
What are the key properties of ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate?
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 146012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).