4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

C17H16N2 — CID 55194408

IUPAC4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H16N2/c1-12-7-8-15(11-18)17(9-12)19-13(2)10-14-5-3-4-6-16(14)19/h3-9,13H,10H2,1-2H3
InChIKeyIBICZOBDTRLNGN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.95
Rot. Bonds1

About 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 55194408) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID55194408
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H16N2/c1-12-7-8-15(11-18)17(9-12)19-13(2)10-14-5-3-4-6-16(14)19/h3-9,13H,10H2,1-2H3
InChIKeyIBICZOBDTRLNGN-UHFFFAOYSA-N
XLogP3.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 55194408) is 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is Cc1ccc(C#N)c(N2c3ccccc3CC2C)c1.
What is the InChIKey of 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is IBICZOBDTRLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-7-8-15(11-18)17(9-12)19-13(2)10-14-5-3-4-6-16(14)19/h3-9,13H,10H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 55194408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).