2-ethyloxetane-2-carbonitrile

C6H9NO — CID 171646594

IUPAC2-ethyloxetane-2-carbonitrile
SMILESCCC1(C#N)CCO1
InChIInChI=1S/C6H9NO/c1-2-6(5-7)3-4-8-6/h2-4H2,1H3
InChIKeyQBWUVQJNWWKFRW-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.08
Rot. Bonds1

About 2-ethyloxetane-2-carbonitrile

2-ethyloxetane-2-carbonitrile (PubChem CID 171646594) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-ethyloxetane-2-carbonitrile.

Molecular Properties

Compound Name2-ethyloxetane-2-carbonitrile
PubChem CID171646594
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-ethyloxetane-2-carbonitrile
SMILESCCC1(C#N)CCO1
InChIInChI=1S/C6H9NO/c1-2-6(5-7)3-4-8-6/h2-4H2,1H3
InChIKeyQBWUVQJNWWKFRW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxetane-2-carbonitrile?
The IUPAC name of 2-ethyloxetane-2-carbonitrile (CID 171646594) is 2-ethyloxetane-2-carbonitrile.
What is the SMILES notation for 2-ethyloxetane-2-carbonitrile?
The canonical SMILES for 2-ethyloxetane-2-carbonitrile is CCC1(C#N)CCO1.
What is the InChIKey of 2-ethyloxetane-2-carbonitrile?
The InChIKey is QBWUVQJNWWKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6(5-7)3-4-8-6/h2-4H2,1H3.
What are the key properties of 2-ethyloxetane-2-carbonitrile?
2-ethyloxetane-2-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxetane-2-carbonitrile is sourced from PubChem (CID 171646594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).