3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile

C7H10N2O2 — CID 91620718

IUPAC3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
SMILESCN1CC(CCC#N)OC1=O
InChIInChI=1S/C7H10N2O2/c1-9-5-6(3-2-4-8)11-7(9)10/h6H,2-3,5H2,1H3
InChIKeyGKSCACUCJRXMQS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.74
Rot. Bonds2

About 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile

3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile (PubChem CID 91620718) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
PubChem CID91620718
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
SMILESCN1CC(CCC#N)OC1=O
InChIInChI=1S/C7H10N2O2/c1-9-5-6(3-2-4-8)11-7(9)10/h6H,2-3,5H2,1H3
InChIKeyGKSCACUCJRXMQS-UHFFFAOYSA-N
XLogP0.74
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile?
The IUPAC name of 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile (CID 91620718) is 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile.
What is the SMILES notation for 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile?
The canonical SMILES for 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile is CN1CC(CCC#N)OC1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile?
The InChIKey is GKSCACUCJRXMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9-5-6(3-2-4-8)11-7(9)10/h6H,2-3,5H2,1H3.
What are the key properties of 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile?
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile has a molecular weight of 154.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile is sourced from PubChem (CID 91620718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).