ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate

C14H17NO3 — CID 15833366

IUPACethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate
SMILESCCOC(=O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-4-18-12(16)9-14(2)10-7-5-6-8-11(10)15(3)13(14)17/h5-8H,4,9H2,1-3H3
InChIKeyQPNXVNOGJQCLIX-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate

ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate (PubChem CID 15833366) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate
PubChem CID15833366
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate
SMILESCCOC(=O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-4-18-12(16)9-14(2)10-7-5-6-8-11(10)15(3)13(14)17/h5-8H,4,9H2,1-3H3
InChIKeyQPNXVNOGJQCLIX-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
ethyl 2-oxo-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
CID 372101
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 2140509
ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 4305752
ethyl (1S,2S)-5'-fluoro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956408
ethyl (1S,2S)-5'-iodo-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956410
ethyl (1S,2S)-2'-oxo-5'-phenyl-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956424
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
methyl 2-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetate
CID 5328538
butyl (4S)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 5389313
Cyano-[1-(4-methyl-benzyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-acetic acid
CID 10870915

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate (CID 15833366) is ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate is CCOC(=O)CC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate?
The InChIKey is QPNXVNOGJQCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-18-12(16)9-14(2)10-7-5-6-8-11(10)15(3)13(14)17/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate?
ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate has a molecular weight of 247.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate is sourced from PubChem (CID 15833366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).