methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

C11H13NO2 — CID 11816349

IUPACmethyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,8,12H,6-7H2,1H3
InChIKeyVWTSSZDILHAHFN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.76
Rot. Bonds2

About methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 11816349) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID11816349
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,8,12H,6-7H2,1H3
InChIKeyVWTSSZDILHAHFN-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
Indoline-2-carboxylic acid, (S)-
CID 2733920
alpha-Cyano-2,3-dihydro-2-oxo-1H-indole-3-acetic acid
CID 41166
ethyl 2-oxo-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
CID 372101
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
beta-3-Oxindolylalanine
CID 13393248
1H-Indole-3-acetic acid, 2,3-dihydro-2-oxo-, methyl ester
CID 11287197
Methyl indoline-2-carboxylate
CID 2794655
2-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 5328535
2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid
CID 5328536

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (CID 11816349) is methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is COC(=O)CC1CNc2ccccc21.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is VWTSSZDILHAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 191.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 11816349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).