2-methoxy-2-(oxolan-3-yl)butanenitrile

C9H15NO2 — CID 130503621

IUPAC2-methoxy-2-(oxolan-3-yl)butanenitrile
SMILESCCC(C#N)(OC)C1CCOC1
InChIInChI=1S/C9H15NO2/c1-3-9(7-10,11-2)8-4-5-12-6-8/h8H,3-6H2,1-2H3
InChIKeyLOGHFNZIHSVNCR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.34
Rot. Bonds3

About 2-methoxy-2-(oxolan-3-yl)butanenitrile

2-methoxy-2-(oxolan-3-yl)butanenitrile (PubChem CID 130503621) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-2-(oxolan-3-yl)butanenitrile.

Molecular Properties

Compound Name2-methoxy-2-(oxolan-3-yl)butanenitrile
PubChem CID130503621
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-2-(oxolan-3-yl)butanenitrile
SMILESCCC(C#N)(OC)C1CCOC1
InChIInChI=1S/C9H15NO2/c1-3-9(7-10,11-2)8-4-5-12-6-8/h8H,3-6H2,1-2H3
InChIKeyLOGHFNZIHSVNCR-UHFFFAOYSA-N
XLogP1.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxolan-3-yl)butanenitrile?
The IUPAC name of 2-methoxy-2-(oxolan-3-yl)butanenitrile (CID 130503621) is 2-methoxy-2-(oxolan-3-yl)butanenitrile.
What is the SMILES notation for 2-methoxy-2-(oxolan-3-yl)butanenitrile?
The canonical SMILES for 2-methoxy-2-(oxolan-3-yl)butanenitrile is CCC(C#N)(OC)C1CCOC1.
What is the InChIKey of 2-methoxy-2-(oxolan-3-yl)butanenitrile?
The InChIKey is LOGHFNZIHSVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(7-10,11-2)8-4-5-12-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-2-(oxolan-3-yl)butanenitrile?
2-methoxy-2-(oxolan-3-yl)butanenitrile has a molecular weight of 169.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxolan-3-yl)butanenitrile is sourced from PubChem (CID 130503621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).