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

C6H8N2O2 — CID 130682736

IUPAC3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCCO1
InChIInChI=1S/C6H8N2O2/c7-3-2-6(9)8-4-1-5-10-8/h1-2,4-5H2
InChIKeyOBMUGZKFBCRIEA-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.06
Rot. Bonds1

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

3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile (PubChem CID 130682736) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile
PubChem CID130682736
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCCO1
InChIInChI=1S/C6H8N2O2/c7-3-2-6(9)8-4-1-5-10-8/h1-2,4-5H2
InChIKeyOBMUGZKFBCRIEA-UHFFFAOYSA-N
XLogP0.06
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile (CID 130682736) is 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile is N#CCC(=O)N1CCCO1.
What is the InChIKey of 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile?
The InChIKey is OBMUGZKFBCRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-2-6(9)8-4-1-5-10-8/h1-2,4-5H2.
What are the key properties of 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile?
3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile has a molecular weight of 140.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazolidin-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 130682736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).