methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate

C14H17NO2 — CID 22627278

IUPACmethyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CC(C)C)[nH]c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)6-12-7-10-4-5-11(14(16)17-3)8-13(10)15-12/h4-5,7-9,15H,6H2,1-3H3
InChIKeyGKCHPLVMIMPYER-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate

methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate (PubChem CID 22627278) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
PubChem CID22627278
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CC(C)C)[nH]c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)6-12-7-10-4-5-11(14(16)17-3)8-13(10)15-12/h4-5,7-9,15H,6H2,1-3H3
InChIKeyGKCHPLVMIMPYER-UHFFFAOYSA-N
XLogP3.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
CID 73425268
methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
CID 18928558
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
methyl 3-hydroxy-4-(2-methylpropyl)benzoate
CID 143575429
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
methyl 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propyl]-1H-indole-6-carboxylate
CID 139924667
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
methyl 2-(5-benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxylate
CID 137048066
methyl 7-iodo-2-(2-methylpropyl)-3H-benzimidazole-5-carboxylate
CID 91112860
(3,4-dimethoxyphenyl)methyl 2-(3-amino-3-oxo-2-phenylpropyl)-1H-indole-6-carboxylate
CID 90939123
ethane;methyl naphthalene-2-carboxylate
CID 143895262

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate (CID 22627278) is methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate is COC(=O)c1ccc2cc(CC(C)C)[nH]c2c1.
What is the InChIKey of methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate?
The InChIKey is GKCHPLVMIMPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)6-12-7-10-4-5-11(14(16)17-3)8-13(10)15-12/h4-5,7-9,15H,6H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate?
methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 22627278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).