2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile

C10H16N2O2 — CID 130825791

IUPAC2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile
SMILESN#CC(CN1CC(O)CO1)C1CCC1
InChIInChI=1S/C10H16N2O2/c11-4-9(8-2-1-3-8)5-12-6-10(13)7-14-12/h8-10,13H,1-3,5-7H2
InChIKeyNFVSUXITKDMZIH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.53
Rot. Bonds3

About 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile

2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile (PubChem CID 130825791) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile
PubChem CID130825791
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile
SMILESN#CC(CN1CC(O)CO1)C1CCC1
InChIInChI=1S/C10H16N2O2/c11-4-9(8-2-1-3-8)5-12-6-10(13)7-14-12/h8-10,13H,1-3,5-7H2
InChIKeyNFVSUXITKDMZIH-UHFFFAOYSA-N
XLogP0.53
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile?
The IUPAC name of 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile (CID 130825791) is 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile.
What is the SMILES notation for 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile?
The canonical SMILES for 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile is N#CC(CN1CC(O)CO1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile?
The InChIKey is NFVSUXITKDMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-4-9(8-2-1-3-8)5-12-6-10(13)7-14-12/h8-10,13H,1-3,5-7H2.
What are the key properties of 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile?
2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile has a molecular weight of 196.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile is sourced from PubChem (CID 130825791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).