2,3-dimethyloxetane-3-carbonitrile;ethane

C8H15NO — CID 169147755

IUPAC2,3-dimethyloxetane-3-carbonitrile;ethane
SMILESCC.CC1OCC1(C)C#N
InChIInChI=1S/C6H9NO.C2H6/c1-5-6(2,3-7)4-8-5;1-2/h5H,4H2,1-2H3;1-2H3
InChIKeyOWDILHFVPSMZQO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds

About 2,3-dimethyloxetane-3-carbonitrile;ethane

2,3-dimethyloxetane-3-carbonitrile;ethane (PubChem CID 169147755) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3-dimethyloxetane-3-carbonitrile;ethane.

Molecular Properties

Compound Name2,3-dimethyloxetane-3-carbonitrile;ethane
PubChem CID169147755
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3-dimethyloxetane-3-carbonitrile;ethane
SMILESCC.CC1OCC1(C)C#N
InChIInChI=1S/C6H9NO.C2H6/c1-5-6(2,3-7)4-8-5;1-2/h5H,4H2,1-2H3;1-2H3
InChIKeyOWDILHFVPSMZQO-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-(1-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
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3-anilino-2-methyloxolane-3-carbonitrile
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cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
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5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile
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(1R,2S,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
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3,3-difluoro-2-methyloxane
CID 146204349
ethane;3,3,4-trimethyloxane
CID 145166291
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyloxetane-3-carbonitrile;ethane?
The IUPAC name of 2,3-dimethyloxetane-3-carbonitrile;ethane (CID 169147755) is 2,3-dimethyloxetane-3-carbonitrile;ethane.
What is the SMILES notation for 2,3-dimethyloxetane-3-carbonitrile;ethane?
The canonical SMILES for 2,3-dimethyloxetane-3-carbonitrile;ethane is CC.CC1OCC1(C)C#N.
What is the InChIKey of 2,3-dimethyloxetane-3-carbonitrile;ethane?
The InChIKey is OWDILHFVPSMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-5-6(2,3-7)4-8-5;1-2/h5H,4H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethyloxetane-3-carbonitrile;ethane?
2,3-dimethyloxetane-3-carbonitrile;ethane has a molecular weight of 141.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloxetane-3-carbonitrile;ethane is sourced from PubChem (CID 169147755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).