2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile

C16H22N2O — CID 100917692

IUPAC2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile
SMILESCC(C)(C#N)ON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C16H22N2O/c1-14(2,11-17)19-18-15(3,4)12-9-7-8-10-13(12)16(18,5)6/h7-10H,1-6H3
InChIKeyIUMOOYGABKIFQD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.71
Rot. Bonds2

About 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile

2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile (PubChem CID 100917692) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile
PubChem CID100917692
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile
SMILESCC(C)(C#N)ON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C16H22N2O/c1-14(2,11-17)19-18-15(3,4)12-9-7-8-10-13(12)16(18,5)6/h7-10H,1-6H3
InChIKeyIUMOOYGABKIFQD-UHFFFAOYSA-N
XLogP3.71
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile 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-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile?
The IUPAC name of 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile (CID 100917692) is 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile.
What is the SMILES notation for 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile?
The canonical SMILES for 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile is CC(C)(C#N)ON1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile?
The InChIKey is IUMOOYGABKIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14(2,11-17)19-18-15(3,4)12-9-7-8-10-13(12)16(18,5)6/h7-10H,1-6H3.
What are the key properties of 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile?
2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile has a molecular weight of 258.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxypropanenitrile is sourced from PubChem (CID 100917692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).