5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile

C8H10N2O2 — CID 154108400

IUPAC5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile
SMILESCC1(C#N)CC(C#N)C(C)(O)O1
InChIInChI=1S/C8H10N2O2/c1-7(5-10)3-6(4-9)8(2,11)12-7/h6,11H,3H2,1-2H3
InChIKeyBGCOWMUXKATLBU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds

About 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile

5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile (PubChem CID 154108400) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile
PubChem CID154108400
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile
SMILESCC1(C#N)CC(C#N)C(C)(O)O1
InChIInChI=1S/C8H10N2O2/c1-7(5-10)3-6(4-9)8(2,11)12-7/h6,11H,3H2,1-2H3
InChIKeyBGCOWMUXKATLBU-UHFFFAOYSA-N
XLogP0.54
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile?
The IUPAC name of 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile (CID 154108400) is 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile.
What is the SMILES notation for 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile?
The canonical SMILES for 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile is CC1(C#N)CC(C#N)C(C)(O)O1.
What is the InChIKey of 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile?
The InChIKey is BGCOWMUXKATLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-7(5-10)3-6(4-9)8(2,11)12-7/h6,11H,3H2,1-2H3.
What are the key properties of 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile?
5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile has a molecular weight of 166.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-dimethyloxolane-2,4-dicarbonitrile is sourced from PubChem (CID 154108400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).