2-[(2-methylpropan-2-yl)oxy]propanenitrile

C7H13NO — CID 46869978

IUPAC2-[(2-methylpropan-2-yl)oxy]propanenitrile
SMILESCC(C#N)OC(C)(C)C
InChIInChI=1S/C7H13NO/c1-6(5-8)9-7(2,3)4/h6H,1-4H3
InChIKeyWJTSXNYRQZOSQD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.71
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]propanenitrile

2-[(2-methylpropan-2-yl)oxy]propanenitrile (PubChem CID 46869978) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]propanenitrile.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]propanenitrile
PubChem CID46869978
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]propanenitrile
SMILESCC(C#N)OC(C)(C)C
InChIInChI=1S/C7H13NO/c1-6(5-8)9-7(2,3)4/h6H,1-4H3
InChIKeyWJTSXNYRQZOSQD-UHFFFAOYSA-N
XLogP1.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]propanenitrile?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]propanenitrile (CID 46869978) is 2-[(2-methylpropan-2-yl)oxy]propanenitrile.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]propanenitrile?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]propanenitrile is CC(C#N)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]propanenitrile?
The InChIKey is WJTSXNYRQZOSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(5-8)9-7(2,3)4/h6H,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]propanenitrile?
2-[(2-methylpropan-2-yl)oxy]propanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]propanenitrile is sourced from PubChem (CID 46869978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).