2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile

C17H14N2O2 — CID 53235974

IUPAC2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile
SMILESN#CCC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2O2/c18-11-10-17(21)14-8-4-5-9-15(14)19(16(17)20)12-13-6-2-1-3-7-13/h1-9,21H,10,12H2
InChIKeyFIMMPLGPIYTIHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.33
Rot. Bonds3

About 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile

2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile (PubChem CID 53235974) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile
PubChem CID53235974
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile
SMILESN#CCC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2O2/c18-11-10-17(21)14-8-4-5-9-15(14)19(16(17)20)12-13-6-2-1-3-7-13/h1-9,21H,10,12H2
InChIKeyFIMMPLGPIYTIHD-UHFFFAOYSA-N
XLogP2.33
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile?
The IUPAC name of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile (CID 53235974) is 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile?
The canonical SMILES for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile is N#CCC1(O)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile?
The InChIKey is FIMMPLGPIYTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-10-17(21)14-8-4-5-9-15(14)19(16(17)20)12-13-6-2-1-3-7-13/h1-9,21H,10,12H2.
What are the key properties of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile?
2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetonitrile is sourced from PubChem (CID 53235974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).