nitroxyl;1,3-oxazolidine

C3H8N2O2 — CID 162173388

IUPACnitroxyl;1,3-oxazolidine
SMILESC1COCN1.N=O
InChIInChI=1S/C3H7NO.HNO/c1-2-5-3-4-1;1-2/h4H,1-3H2;1H
InChIKeyZOBQUWHEDSGNIH-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.10
Rot. Bonds

About nitroxyl;1,3-oxazolidine

nitroxyl;1,3-oxazolidine (PubChem CID 162173388) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is nitroxyl;1,3-oxazolidine.

Molecular Properties

Compound Namenitroxyl;1,3-oxazolidine
PubChem CID162173388
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Namenitroxyl;1,3-oxazolidine
SMILESC1COCN1.N=O
InChIInChI=1S/C3H7NO.HNO/c1-2-5-3-4-1;1-2/h4H,1-3H2;1H
InChIKeyZOBQUWHEDSGNIH-UHFFFAOYSA-N
XLogP-0.10
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of nitroxyl;1,3-oxazolidine?
The IUPAC name of nitroxyl;1,3-oxazolidine (CID 162173388) is nitroxyl;1,3-oxazolidine.
What is the SMILES notation for nitroxyl;1,3-oxazolidine?
The canonical SMILES for nitroxyl;1,3-oxazolidine is C1COCN1.N=O.
What is the InChIKey of nitroxyl;1,3-oxazolidine?
The InChIKey is ZOBQUWHEDSGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.HNO/c1-2-5-3-4-1;1-2/h4H,1-3H2;1H.
What are the key properties of nitroxyl;1,3-oxazolidine?
nitroxyl;1,3-oxazolidine has a molecular weight of 104.11 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl;1,3-oxazolidine is sourced from PubChem (CID 162173388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).