2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile

C8H10N2O3 — CID 134967565

IUPAC2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile
SMILESCC(C#N)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H10N2O3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-4H2,1H3
InChIKeyNBLAPSPQVUSEFX-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.51
Rot. Bonds2

About 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile

2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile (PubChem CID 134967565) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile
PubChem CID134967565
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile
SMILESCC(C#N)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H10N2O3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-4H2,1H3
InChIKeyNBLAPSPQVUSEFX-UHFFFAOYSA-N
XLogP0.51
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile?
The IUPAC name of 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile (CID 134967565) is 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile.
What is the SMILES notation for 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile?
The canonical SMILES for 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile is CC(C#N)CC(=O)N1CCOC1=O.
What is the InChIKey of 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile?
The InChIKey is NBLAPSPQVUSEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-4H2,1H3.
What are the key properties of 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile?
2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile has a molecular weight of 182.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile is sourced from PubChem (CID 134967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).