2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one

C7H12N2O3 — CID 69044333

IUPAC2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.COCC#N
InChIInChI=1S/C4H7NO2.C3H5NO/c1-5-2-3-7-4(5)6;1-5-3-2-4/h2-3H2,1H3;3H2,1H3
InChIKeyYBJGVQSFODRDPL-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.22
Rot. Bonds1

About 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one

2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one (PubChem CID 69044333) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one
PubChem CID69044333
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.COCC#N
InChIInChI=1S/C4H7NO2.C3H5NO/c1-5-2-3-7-4(5)6;1-5-3-2-4/h2-3H2,1H3;3H2,1H3
InChIKeyYBJGVQSFODRDPL-UHFFFAOYSA-N
XLogP0.22
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one (CID 69044333) is 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one is CN1CCOC1=O.COCC#N.
What is the InChIKey of 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one?
The InChIKey is YBJGVQSFODRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H5NO/c1-5-2-3-7-4(5)6;1-5-3-2-4/h2-3H2,1H3;3H2,1H3.
What are the key properties of 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one?
2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one has a molecular weight of 172.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69044333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).