(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile

C7H8N2O — CID 44720395

IUPAC(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile
SMILESCC1(C)O[C@@H](C#N)[C@@H]1C#N
InChIInChI=1S/C7H8N2O/c1-7(2)5(3-8)6(4-9)10-7/h5-6H,1-2H3/t5-,6-/m0/s1
InChIKeyUNNJAIWUSXHTMR-WDSKDSINSA-N
MW136.15 g/mol
LogP0.83
Rot. Bonds

About (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile

(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile (PubChem CID 44720395) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile.

Molecular Properties

Compound Name(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile
PubChem CID44720395
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile
SMILESCC1(C)O[C@@H](C#N)[C@@H]1C#N
InChIInChI=1S/C7H8N2O/c1-7(2)5(3-8)6(4-9)10-7/h5-6H,1-2H3/t5-,6-/m0/s1
InChIKeyUNNJAIWUSXHTMR-WDSKDSINSA-N
XLogP0.83
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile?
The IUPAC name of (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile (CID 44720395) is (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile.
What is the SMILES notation for (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile?
The canonical SMILES for (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile is CC1(C)O[C@@H](C#N)[C@@H]1C#N.
What is the InChIKey of (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile?
The InChIKey is UNNJAIWUSXHTMR-WDSKDSINSA-N. The full InChI is InChI=1S/C7H8N2O/c1-7(2)5(3-8)6(4-9)10-7/h5-6H,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile?
(2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile has a molecular weight of 136.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,4-dimethyloxetane-2,3-dicarbonitrile is sourced from PubChem (CID 44720395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).