2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile

C17H14N2 — CID 44533920

IUPAC2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile
SMILESCc1c(-c2ccccc2)ccc2[nH]cc(CC#N)c12
InChIInChI=1S/C17H14N2/c1-12-15(13-5-3-2-4-6-13)7-8-16-17(12)14(9-10-18)11-19-16/h2-8,11,19H,9H2,1H3
InChIKeyUBBYGPKQJSYHGA-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile

2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile (PubChem CID 44533920) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile
PubChem CID44533920
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile
SMILESCc1c(-c2ccccc2)ccc2[nH]cc(CC#N)c12
InChIInChI=1S/C17H14N2/c1-12-15(13-5-3-2-4-6-13)7-8-16-17(12)14(9-10-18)11-19-16/h2-8,11,19H,9H2,1H3
InChIKeyUBBYGPKQJSYHGA-UHFFFAOYSA-N
XLogP4.21
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile (CID 44533920) is 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile is Cc1c(-c2ccccc2)ccc2[nH]cc(CC#N)c12.
What is the InChIKey of 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile?
The InChIKey is UBBYGPKQJSYHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-12-15(13-5-3-2-4-6-13)7-8-16-17(12)14(9-10-18)11-19-16/h2-8,11,19H,9H2,1H3.
What are the key properties of 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile?
2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile has a molecular weight of 246.31 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 44533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).