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

C17H16N2 — CID 63511241

IUPAC3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1cc(C#N)ccc1N1c2ccccc2CC1C
InChIInChI=1S/C17H16N2/c1-12-9-14(11-18)7-8-16(12)19-13(2)10-15-5-3-4-6-17(15)19/h3-9,13H,10H2,1-2H3
InChIKeyWCSVYPFBQPXLES-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.95
Rot. Bonds1

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

3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 63511241) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID63511241
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1cc(C#N)ccc1N1c2ccccc2CC1C
InChIInChI=1S/C17H16N2/c1-12-9-14(11-18)7-8-16(12)19-13(2)10-15-5-3-4-6-17(15)19/h3-9,13H,10H2,1-2H3
InChIKeyWCSVYPFBQPXLES-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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Related Compounds

4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194408
4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile
CID 118444834
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
CID 55040279
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
3-methyl-4-piperidin-1-ylbenzonitrile
CID 60929306
3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
CID 118441246
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 63511241) is 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is Cc1cc(C#N)ccc1N1c2ccccc2CC1C.
What is the InChIKey of 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is WCSVYPFBQPXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-9-14(11-18)7-8-16(12)19-13(2)10-15-5-3-4-6-17(15)19/h3-9,13H,10H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
3-methyl-4-(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 3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 63511241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).