2-cyclobutyl-2-methylbutanenitrile

C9H15N — CID 90137843

IUPAC2-cyclobutyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)C1CCC1
InChIInChI=1S/C9H15N/c1-3-9(2,7-10)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyCADMQEATGBOREB-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclobutyl-2-methylbutanenitrile

2-cyclobutyl-2-methylbutanenitrile (PubChem CID 90137843) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclobutyl-2-methylbutanenitrile.

Molecular Properties

Compound Name2-cyclobutyl-2-methylbutanenitrile
PubChem CID90137843
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclobutyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)C1CCC1
InChIInChI=1S/C9H15N/c1-3-9(2,7-10)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyCADMQEATGBOREB-UHFFFAOYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methylbutanenitrile?
The IUPAC name of 2-cyclobutyl-2-methylbutanenitrile (CID 90137843) is 2-cyclobutyl-2-methylbutanenitrile.
What is the SMILES notation for 2-cyclobutyl-2-methylbutanenitrile?
The canonical SMILES for 2-cyclobutyl-2-methylbutanenitrile is CCC(C)(C#N)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-methylbutanenitrile?
The InChIKey is CADMQEATGBOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(2,7-10)8-5-4-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-methylbutanenitrile?
2-cyclobutyl-2-methylbutanenitrile has a molecular weight of 137.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methylbutanenitrile is sourced from PubChem (CID 90137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).