ethenoxyethene;nitroxyl

C4H7NO2 — CID 87932268

IUPACethenoxyethene;nitroxyl
SMILESC=COC=C.N=O
InChIInChI=1S/C4H6O.HNO/c1-3-5-4-2;1-2/h3-4H,1-2H2;1H
InChIKeyXJDKOZKYBAVNJI-UHFFFAOYSA-N
MW101.11 g/mol
LogP1.62
Rot. Bonds2

About ethenoxyethene;nitroxyl

ethenoxyethene;nitroxyl (PubChem CID 87932268) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is ethenoxyethene;nitroxyl.

Molecular Properties

Compound Nameethenoxyethene;nitroxyl
PubChem CID87932268
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Nameethenoxyethene;nitroxyl
SMILESC=COC=C.N=O
InChIInChI=1S/C4H6O.HNO/c1-3-5-4-2;1-2/h3-4H,1-2H2;1H
InChIKeyXJDKOZKYBAVNJI-UHFFFAOYSA-N
XLogP1.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;nitroxyl?
The IUPAC name of ethenoxyethene;nitroxyl (CID 87932268) is ethenoxyethene;nitroxyl.
What is the SMILES notation for ethenoxyethene;nitroxyl?
The canonical SMILES for ethenoxyethene;nitroxyl is C=COC=C.N=O.
What is the InChIKey of ethenoxyethene;nitroxyl?
The InChIKey is XJDKOZKYBAVNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.HNO/c1-3-5-4-2;1-2/h3-4H,1-2H2;1H.
What are the key properties of ethenoxyethene;nitroxyl?
ethenoxyethene;nitroxyl has a molecular weight of 101.11 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;nitroxyl is sourced from PubChem (CID 87932268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).