2-(2-hydroxypropan-2-yl)butanedinitrile

C7H10N2O — CID 71746175

IUPAC2-(2-hydroxypropan-2-yl)butanedinitrile
SMILESCC(C)(O)C(C#N)CC#N
InChIInChI=1S/C7H10N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3H2,1-2H3
InChIKeyGPUCGXZCYYGEOX-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.81
Rot. Bonds2

About 2-(2-hydroxypropan-2-yl)butanedinitrile

2-(2-hydroxypropan-2-yl)butanedinitrile (PubChem CID 71746175) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)butanedinitrile.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)butanedinitrile
PubChem CID71746175
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(2-hydroxypropan-2-yl)butanedinitrile
SMILESCC(C)(O)C(C#N)CC#N
InChIInChI=1S/C7H10N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3H2,1-2H3
InChIKeyGPUCGXZCYYGEOX-UHFFFAOYSA-N
XLogP0.81
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)butanedinitrile?
The IUPAC name of 2-(2-hydroxypropan-2-yl)butanedinitrile (CID 71746175) is 2-(2-hydroxypropan-2-yl)butanedinitrile.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)butanedinitrile?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)butanedinitrile is CC(C)(O)C(C#N)CC#N.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)butanedinitrile?
The InChIKey is GPUCGXZCYYGEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3H2,1-2H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)butanedinitrile?
2-(2-hydroxypropan-2-yl)butanedinitrile has a molecular weight of 138.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)butanedinitrile is sourced from PubChem (CID 71746175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).