2-methoxy-2-methylpropanenitrile

C5H9NO — CID 12578534

IUPAC2-methoxy-2-methylpropanenitrile
SMILESCOC(C)(C)C#N
InChIInChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3
InChIKeyGREBWGAVFUQVPM-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.93
Rot. Bonds1

About 2-methoxy-2-methylpropanenitrile

2-methoxy-2-methylpropanenitrile (PubChem CID 12578534) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methoxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-methoxy-2-methylpropanenitrile
PubChem CID12578534
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methoxy-2-methylpropanenitrile
SMILESCOC(C)(C)C#N
InChIInChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3
InChIKeyGREBWGAVFUQVPM-UHFFFAOYSA-N
XLogP0.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropanenitrile?
The IUPAC name of 2-methoxy-2-methylpropanenitrile (CID 12578534) is 2-methoxy-2-methylpropanenitrile.
What is the SMILES notation for 2-methoxy-2-methylpropanenitrile?
The canonical SMILES for 2-methoxy-2-methylpropanenitrile is COC(C)(C)C#N.
What is the InChIKey of 2-methoxy-2-methylpropanenitrile?
The InChIKey is GREBWGAVFUQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3.
What are the key properties of 2-methoxy-2-methylpropanenitrile?
2-methoxy-2-methylpropanenitrile has a molecular weight of 99.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropanenitrile is sourced from PubChem (CID 12578534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).