3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile

C17H24N2 — CID 82089052

IUPAC3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile
SMILESCc1cc(C)c(C)c(C(C#N)CN2CCCC2)c1C
InChIInChI=1S/C17H24N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,11H2,1-4H3
InChIKeyUCEGMMQVYNHJPY-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.62
Rot. Bonds3

About 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile

3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile (PubChem CID 82089052) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile
PubChem CID82089052
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile
SMILESCc1cc(C)c(C)c(C(C#N)CN2CCCC2)c1C
InChIInChI=1S/C17H24N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,11H2,1-4H3
InChIKeyUCEGMMQVYNHJPY-UHFFFAOYSA-N
XLogP3.62
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile?
The IUPAC name of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile (CID 82089052) is 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile.
What is the SMILES notation for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile?
The canonical SMILES for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile is Cc1cc(C)c(C)c(C(C#N)CN2CCCC2)c1C.
What is the InChIKey of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile?
The InChIKey is UCEGMMQVYNHJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,11H2,1-4H3.
What are the key properties of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile?
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile has a molecular weight of 256.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile is sourced from PubChem (CID 82089052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).