methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate

C11H15NO2 — CID 139315144

IUPACmethyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate
SMILESCOC(=O)C1CCCc2[nH]c(C)cc21
InChIInChI=1S/C11H15NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h6,8,12H,3-5H2,1-2H3
InChIKeyIWBKKJZPMFILEQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds1

About methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate

methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate (PubChem CID 139315144) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate
PubChem CID139315144
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate
SMILESCOC(=O)C1CCCc2[nH]c(C)cc21
InChIInChI=1S/C11H15NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h6,8,12H,3-5H2,1-2H3
InChIKeyIWBKKJZPMFILEQ-UHFFFAOYSA-N
XLogP1.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate?
The IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate (CID 139315144) is methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate is COC(=O)C1CCCc2[nH]c(C)cc21.
What is the InChIKey of methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate?
The InChIKey is IWBKKJZPMFILEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h6,8,12H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate?
methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carboxylate is sourced from PubChem (CID 139315144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).