2-propoxypropanenitrile

C6H11NO — CID 18980946

IUPAC2-propoxypropanenitrile
SMILESCCCOC(C)C#N
InChIInChI=1S/C6H11NO/c1-3-4-8-6(2)5-7/h6H,3-4H2,1-2H3
InChIKeyHJNUVCLGGKUJGW-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds3

About 2-propoxypropanenitrile

2-propoxypropanenitrile (PubChem CID 18980946) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-propoxypropanenitrile.

Molecular Properties

Compound Name2-propoxypropanenitrile
PubChem CID18980946
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-propoxypropanenitrile
SMILESCCCOC(C)C#N
InChIInChI=1S/C6H11NO/c1-3-4-8-6(2)5-7/h6H,3-4H2,1-2H3
InChIKeyHJNUVCLGGKUJGW-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propoxypropanenitrile?
The IUPAC name of 2-propoxypropanenitrile (CID 18980946) is 2-propoxypropanenitrile.
What is the SMILES notation for 2-propoxypropanenitrile?
The canonical SMILES for 2-propoxypropanenitrile is CCCOC(C)C#N.
What is the InChIKey of 2-propoxypropanenitrile?
The InChIKey is HJNUVCLGGKUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-8-6(2)5-7/h6H,3-4H2,1-2H3.
What are the key properties of 2-propoxypropanenitrile?
2-propoxypropanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypropanenitrile is sourced from PubChem (CID 18980946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).