methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate

C13H16N2O2 — CID 70935780

IUPACmethyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
SMILESCNCCn1ccc2cccc(C(=O)OC)c21
InChIInChI=1S/C13H16N2O2/c1-14-7-9-15-8-6-10-4-3-5-11(12(10)15)13(16)17-2/h3-6,8,14H,7,9H2,1-2H3
InChIKeyKSBQZCKIQADIQF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.65
Rot. Bonds4

About methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate

methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate (PubChem CID 70935780) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
PubChem CID70935780
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
SMILESCNCCn1ccc2cccc(C(=O)OC)c21
InChIInChI=1S/C13H16N2O2/c1-14-7-9-15-8-6-10-4-3-5-11(12(10)15)13(16)17-2/h3-6,8,14H,7,9H2,1-2H3
InChIKeyKSBQZCKIQADIQF-UHFFFAOYSA-N
XLogP1.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
Tropisetron
CID 656665
methyl 1H-indole-5-carboxylate
CID 2737635
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Tropisetron hydrochloride
CID 656664
1H-Indole-7-carboxylic acid
CID 74281
Methyl indole-3-carboxylate
CID 589098
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
methyl 1H-indole-4-carboxylate
CID 2733668
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
1-benzyl-1H-indole-3-carboxylic acid
CID 33671

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate?
The IUPAC name of methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate (CID 70935780) is methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate.
What is the SMILES notation for methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate?
The canonical SMILES for methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate is CNCCn1ccc2cccc(C(=O)OC)c21.
What is the InChIKey of methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate?
The InChIKey is KSBQZCKIQADIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-7-9-15-8-6-10-4-3-5-11(12(10)15)13(16)17-2/h3-6,8,14H,7,9H2,1-2H3.
What are the key properties of methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate?
methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate is sourced from PubChem (CID 70935780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).