2-(1,3-oxazolidin-3-yl)acetonitrile

C5H8N2O — CID 71700390

IUPAC2-(1,3-oxazolidin-3-yl)acetonitrile
SMILESN#CCN1CCOC1
InChIInChI=1S/C5H8N2O/c6-1-2-7-3-4-8-5-7/h2-5H2
InChIKeyZUUVEMFGDAKNTO-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.20
Rot. Bonds1

About 2-(1,3-oxazolidin-3-yl)acetonitrile

2-(1,3-oxazolidin-3-yl)acetonitrile (PubChem CID 71700390) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,3-oxazolidin-3-yl)acetonitrile
PubChem CID71700390
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(1,3-oxazolidin-3-yl)acetonitrile
SMILESN#CCN1CCOC1
InChIInChI=1S/C5H8N2O/c6-1-2-7-3-4-8-5-7/h2-5H2
InChIKeyZUUVEMFGDAKNTO-UHFFFAOYSA-N
XLogP-0.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidin-3-yl)acetonitrile?
The IUPAC name of 2-(1,3-oxazolidin-3-yl)acetonitrile (CID 71700390) is 2-(1,3-oxazolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1,3-oxazolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(1,3-oxazolidin-3-yl)acetonitrile is N#CCN1CCOC1.
What is the InChIKey of 2-(1,3-oxazolidin-3-yl)acetonitrile?
The InChIKey is ZUUVEMFGDAKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-1-2-7-3-4-8-5-7/h2-5H2.
What are the key properties of 2-(1,3-oxazolidin-3-yl)acetonitrile?
2-(1,3-oxazolidin-3-yl)acetonitrile has a molecular weight of 112.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-3-yl)acetonitrile is sourced from PubChem (CID 71700390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).