(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate

C19H16N2O4 — CID 102343309

IUPAC(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1(C#N)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-24-18(23)25-19(13-20)15-10-6-7-11-16(15)21(17(19)22)12-14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyBMYCBADBGRMTSF-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.13
Rot. Bonds4

About (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate

(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate (PubChem CID 102343309) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
PubChem CID102343309
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1(C#N)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-24-18(23)25-19(13-20)15-10-6-7-11-16(15)21(17(19)22)12-14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyBMYCBADBGRMTSF-UHFFFAOYSA-N
XLogP3.13
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
CID 132544016
CID 132544016
methyl 1'-benzyl-3-cyano-2'-oxospiro[cyclopent-3-ene-2,3'-indole]-1-carboxylate
CID 46198045
2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)butanoate
CID 57374959
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
CID 138963138
CID 138963138
(1S,2S,3S)-1'-benzyl-3-(4-bromophenyl)-1-(2,2-dimethylpropanoyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 132544009
ethyl (2S)-2-[(3S)-1-benzyl-3-(1-benzylindol-3-yl)-2-oxoindol-3-yl]-2-hydroxyacetate
CID 102443810
ethyl N-[(3S)-1-benzyl-3-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-N-(ethoxycarbonylamino)carbamate
CID 44556796
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
diethyl (3S)-6'-amino-1-benzyl-5'-cyano-1'-(2,4-dimethoxyphenyl)-2-oxospiro[indole-3,4'-pyridine]-2',3'-dicarboxylate
CID 122207889
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate?
The IUPAC name of (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate (CID 102343309) is (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate.
What is the SMILES notation for (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate?
The canonical SMILES for (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate is CCOC(=O)OC1(C#N)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate?
The InChIKey is BMYCBADBGRMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-24-18(23)25-19(13-20)15-10-6-7-11-16(15)21(17(19)22)12-14-8-4-3-5-9-14/h3-11H,2,12H2,1H3.
What are the key properties of (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate?
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate has a molecular weight of 336.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate is sourced from PubChem (CID 102343309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).