2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile

C20H21N — CID 65408228

IUPAC2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1cc(C)c(CC2(C#N)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H21N/c1-14-8-15(2)19(16(3)9-14)12-20(13-21)10-17-6-4-5-7-18(17)11-20/h4-9H,10-12H2,1-3H3
InChIKeyLIYXLFLJMAAIKM-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.46
Rot. Bonds2

About 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 65408228) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID65408228
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1cc(C)c(CC2(C#N)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H21N/c1-14-8-15(2)19(16(3)9-14)12-20(13-21)10-17-6-4-5-7-18(17)11-20/h4-9H,10-12H2,1-3H3
InChIKeyLIYXLFLJMAAIKM-UHFFFAOYSA-N
XLogP4.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 65408228) is 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile is Cc1cc(C)c(CC2(C#N)Cc3ccccc3C2)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is LIYXLFLJMAAIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-8-15(2)19(16(3)9-14)12-20(13-21)10-17-6-4-5-7-18(17)11-20/h4-9H,10-12H2,1-3H3.
What are the key properties of 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 65408228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).