2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile

C19H18N2O — CID 102395058

IUPAC2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
SMILESCc1ccc2c(c1)C(C)(CC#N)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-8-9-17-16(12-14)19(2,10-11-20)18(22)21(17)13-15-6-4-3-5-7-15/h3-9,12H,10,13H2,1-2H3
InChIKeyLKUYUGQVQDFKAC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.71
Rot. Bonds3

About 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile

2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile (PubChem CID 102395058) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
PubChem CID102395058
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
SMILESCc1ccc2c(c1)C(C)(CC#N)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-8-9-17-16(12-14)19(2,10-11-20)18(22)21(17)13-15-6-4-3-5-7-15/h3-9,12H,10,13H2,1-2H3
InChIKeyLKUYUGQVQDFKAC-UHFFFAOYSA-N
XLogP3.71
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 132544016
CID 132544016
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
3-[3-(3-aminophenyl)prop-2-ynyl]-1-benzyl-3-methylindol-2-one
CID 132565539
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
1-benzyl-5-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4065671
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile?
The IUPAC name of 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile (CID 102395058) is 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile?
The canonical SMILES for 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile is Cc1ccc2c(c1)C(C)(CC#N)C(=O)N2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile?
The InChIKey is LKUYUGQVQDFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-8-9-17-16(12-14)19(2,10-11-20)18(22)21(17)13-15-6-4-3-5-7-15/h3-9,12H,10,13H2,1-2H3.
What are the key properties of 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile?
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile is sourced from PubChem (CID 102395058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).