methyl 2-(1H-indol-5-yl)acetate

C11H11NO2 — CID 43831379

IUPACmethyl 2-(1H-indol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-6,12H,7H2,1H3
InChIKeyZWPPJBSFGQAVEQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.88
Rot. Bonds2

About methyl 2-(1H-indol-5-yl)acetate

methyl 2-(1H-indol-5-yl)acetate (PubChem CID 43831379) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-(1H-indol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-5-yl)acetate
PubChem CID43831379
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-(1H-indol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-6,12H,7H2,1H3
InChIKeyZWPPJBSFGQAVEQ-UHFFFAOYSA-N
XLogP1.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-5-yl)-N-(6-methoxypyridazin-3-yl)acetamide
CID 68638504
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
2-(1H-indol-5-yl)-N-(2-methylcyclohexyl)acetamide
CID 84577838
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
N-(2,4-dichlorophenyl)-2-(1H-indol-5-yl)acetamide
CID 110476487

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-5-yl)acetate?
The IUPAC name of methyl 2-(1H-indol-5-yl)acetate (CID 43831379) is methyl 2-(1H-indol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1H-indol-5-yl)acetate?
The canonical SMILES for methyl 2-(1H-indol-5-yl)acetate is COC(=O)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of methyl 2-(1H-indol-5-yl)acetate?
The InChIKey is ZWPPJBSFGQAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-6,12H,7H2,1H3.
What are the key properties of methyl 2-(1H-indol-5-yl)acetate?
methyl 2-(1H-indol-5-yl)acetate has a molecular weight of 189.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-5-yl)acetate is sourced from PubChem (CID 43831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).