(3R)-5-oxooxolane-3-carbonitrile

C5H5NO2 — CID 89319230

IUPAC(3R)-5-oxooxolane-3-carbonitrile
SMILESN#C[C@@H]1COC(=O)C1
InChIInChI=1S/C5H5NO2/c6-2-4-1-5(7)8-3-4/h4H,1,3H2/t4-/m1/s1
InChIKeyJKVLNTPKAKOYOV-SCSAIBSYSA-N
MW111.10 g/mol
LogP0.07
Rot. Bonds

About (3R)-5-oxooxolane-3-carbonitrile

(3R)-5-oxooxolane-3-carbonitrile (PubChem CID 89319230) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is (3R)-5-oxooxolane-3-carbonitrile.

Molecular Properties

Compound Name(3R)-5-oxooxolane-3-carbonitrile
PubChem CID89319230
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name(3R)-5-oxooxolane-3-carbonitrile
SMILESN#C[C@@H]1COC(=O)C1
InChIInChI=1S/C5H5NO2/c6-2-4-1-5(7)8-3-4/h4H,1,3H2/t4-/m1/s1
InChIKeyJKVLNTPKAKOYOV-SCSAIBSYSA-N
XLogP0.07
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxooxolane-3-carbonitrile?
The IUPAC name of (3R)-5-oxooxolane-3-carbonitrile (CID 89319230) is (3R)-5-oxooxolane-3-carbonitrile.
What is the SMILES notation for (3R)-5-oxooxolane-3-carbonitrile?
The canonical SMILES for (3R)-5-oxooxolane-3-carbonitrile is N#C[C@@H]1COC(=O)C1.
What is the InChIKey of (3R)-5-oxooxolane-3-carbonitrile?
The InChIKey is JKVLNTPKAKOYOV-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5NO2/c6-2-4-1-5(7)8-3-4/h4H,1,3H2/t4-/m1/s1.
What are the key properties of (3R)-5-oxooxolane-3-carbonitrile?
(3R)-5-oxooxolane-3-carbonitrile has a molecular weight of 111.10 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxooxolane-3-carbonitrile is sourced from PubChem (CID 89319230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).