2-(oxolan-3-yl)acetonitrile

C6H9NO — CID 11446305

IUPAC2-(oxolan-3-yl)acetonitrile
SMILESN#CCC1CCOC1
InChIInChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h6H,1-2,4-5H2
InChIKeyRWNLNUQZBGAUKN-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.94
Rot. Bonds1

About 2-(oxolan-3-yl)acetonitrile

2-(oxolan-3-yl)acetonitrile (PubChem CID 11446305) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(oxolan-3-yl)acetonitrile
PubChem CID11446305
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(oxolan-3-yl)acetonitrile
SMILESN#CCC1CCOC1
InChIInChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h6H,1-2,4-5H2
InChIKeyRWNLNUQZBGAUKN-UHFFFAOYSA-N
XLogP0.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(oxolan-3-yl)acetonitrile (CID 11446305) is 2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(oxolan-3-yl)acetonitrile is N#CCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)acetonitrile?
The InChIKey is RWNLNUQZBGAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h6H,1-2,4-5H2.
What are the key properties of 2-(oxolan-3-yl)acetonitrile?
2-(oxolan-3-yl)acetonitrile has a molecular weight of 111.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 11446305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).