3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile

C10H18N2 — CID 130658926

IUPAC3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile
SMILESCC1CN(CCC#N)C(C)(C)C1
InChIInChI=1S/C10H18N2/c1-9-7-10(2,3)12(8-9)6-4-5-11/h9H,4,6-8H2,1-3H3
InChIKeyHEZZVJKDMNSUQU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile

3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile (PubChem CID 130658926) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile
PubChem CID130658926
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile
SMILESCC1CN(CCC#N)C(C)(C)C1
InChIInChI=1S/C10H18N2/c1-9-7-10(2,3)12(8-9)6-4-5-11/h9H,4,6-8H2,1-3H3
InChIKeyHEZZVJKDMNSUQU-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile (CID 130658926) is 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile is CC1CN(CCC#N)C(C)(C)C1.
What is the InChIKey of 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile?
The InChIKey is HEZZVJKDMNSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-7-10(2,3)12(8-9)6-4-5-11/h9H,4,6-8H2,1-3H3.
What are the key properties of 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile?
3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 130658926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).