2-methyloxolane-3-carbonitrile

C6H9NO — CID 67214459

IUPAC2-methyloxolane-3-carbonitrile
SMILESCC1OCCC1C#N
InChIInChI=1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-3H2,1H3
InChIKeyBONJSTPZAYYRDZ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.93
Rot. Bonds

About 2-methyloxolane-3-carbonitrile

2-methyloxolane-3-carbonitrile (PubChem CID 67214459) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-methyloxolane-3-carbonitrile
PubChem CID67214459
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyloxolane-3-carbonitrile
SMILESCC1OCCC1C#N
InChIInChI=1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-3H2,1H3
InChIKeyBONJSTPZAYYRDZ-UHFFFAOYSA-N
XLogP0.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
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-methyloxolane-3-carbonitrile?
The IUPAC name of 2-methyloxolane-3-carbonitrile (CID 67214459) is 2-methyloxolane-3-carbonitrile.
What is the SMILES notation for 2-methyloxolane-3-carbonitrile?
The canonical SMILES for 2-methyloxolane-3-carbonitrile is CC1OCCC1C#N.
What is the InChIKey of 2-methyloxolane-3-carbonitrile?
The InChIKey is BONJSTPZAYYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-3H2,1H3.
What are the key properties of 2-methyloxolane-3-carbonitrile?
2-methyloxolane-3-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane-3-carbonitrile is sourced from PubChem (CID 67214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).