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

C10H16N2O — CID 130941276

IUPAC2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile
SMILESN#CC(CN1CCCO1)C1CCC1
InChIInChI=1S/C10H16N2O/c11-7-10(9-3-1-4-9)8-12-5-2-6-13-12/h9-10H,1-6,8H2
InChIKeyBRHYKSOGSMCALU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.56
Rot. Bonds3

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

2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile (PubChem CID 130941276) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile
PubChem CID130941276
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile
SMILESN#CC(CN1CCCO1)C1CCC1
InChIInChI=1S/C10H16N2O/c11-7-10(9-3-1-4-9)8-12-5-2-6-13-12/h9-10H,1-6,8H2
InChIKeyBRHYKSOGSMCALU-UHFFFAOYSA-N
XLogP1.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile?
The IUPAC name of 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile (CID 130941276) is 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile.
What is the SMILES notation for 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile?
The canonical SMILES for 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile is N#CC(CN1CCCO1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile?
The InChIKey is BRHYKSOGSMCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-7-10(9-3-1-4-9)8-12-5-2-6-13-12/h9-10H,1-6,8H2.
What are the key properties of 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile?
2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile is sourced from PubChem (CID 130941276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).