2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile

C16H12N2O — CID 24792662

IUPAC2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(CO)c(-c3ccccc3)c2c1
InChIInChI=1S/C16H12N2O/c17-9-11-6-7-14-13(8-11)16(15(10-19)18-14)12-4-2-1-3-5-12/h1-8,18-19H,10H2
InChIKeyHSCRKUKUXOGHOW-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.20
Rot. Bonds2

About 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile

2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile (PubChem CID 24792662) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
PubChem CID24792662
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(CO)c(-c3ccccc3)c2c1
InChIInChI=1S/C16H12N2O/c17-9-11-6-7-14-13(8-11)16(15(10-19)18-14)12-4-2-1-3-5-12/h1-8,18-19H,10H2
InChIKeyHSCRKUKUXOGHOW-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile (CID 24792662) is 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(CO)c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile?
The InChIKey is HSCRKUKUXOGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-9-11-6-7-14-13(8-11)16(15(10-19)18-14)12-4-2-1-3-5-12/h1-8,18-19H,10H2.
What are the key properties of 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile?
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile has a molecular weight of 248.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 24792662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).