4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile

C18H16N2O2 — CID 84758433

IUPAC4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile
SMILESCC(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(C#N)cc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-6-7-17-16(8-15)9-18(22)20(17)11-14-4-2-13(10-19)3-5-14/h2-8,12,21H,9,11H2,1H3
InChIKeyWRCOSQANWJPJSH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.70
Rot. Bonds3

About 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile

4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile (PubChem CID 84758433) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile
PubChem CID84758433
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile
SMILESCC(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(C#N)cc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-6-7-17-16(8-15)9-18(22)20(17)11-14-4-2-13(10-19)3-5-14/h2-8,12,21H,9,11H2,1H3
InChIKeyWRCOSQANWJPJSH-UHFFFAOYSA-N
XLogP2.70
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]acetonitrile
CID 84758428
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
CID 82172045
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
4-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43342829
5-acetyl-1-[(4-aminophenyl)methyl]-3H-indol-2-one
CID 84758268
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
4-[(5-amino-2-oxo-3H-indol-1-yl)methyl]-3-fluorobenzonitrile
CID 43446457
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840648
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840624
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile (CID 84758433) is 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile is CC(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile?
The InChIKey is WRCOSQANWJPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(21)15-6-7-17-16(8-15)9-18(22)20(17)11-14-4-2-13(10-19)3-5-14/h2-8,12,21H,9,11H2,1H3.
What are the key properties of 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile?
4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 84758433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).