ethenyl acetate;pyrrole-2,5-dione

C8H9NO4 — CID 22164001

IUPACethenyl acetate;pyrrole-2,5-dione
SMILESC=COC(C)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3-6-4(2)5/h1-2H,(H,5,6,7);3H,1H2,2H3
InChIKeyBCQREVSGKWDTOP-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.11
Rot. Bonds1

About ethenyl acetate;pyrrole-2,5-dione

ethenyl acetate;pyrrole-2,5-dione (PubChem CID 22164001) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is ethenyl acetate;pyrrole-2,5-dione.

Molecular Properties

Compound Nameethenyl acetate;pyrrole-2,5-dione
PubChem CID22164001
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Nameethenyl acetate;pyrrole-2,5-dione
SMILESC=COC(C)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3-6-4(2)5/h1-2H,(H,5,6,7);3H,1H2,2H3
InChIKeyBCQREVSGKWDTOP-UHFFFAOYSA-N
XLogP-0.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;pyrrole-2,5-dione?
The IUPAC name of ethenyl acetate;pyrrole-2,5-dione (CID 22164001) is ethenyl acetate;pyrrole-2,5-dione.
What is the SMILES notation for ethenyl acetate;pyrrole-2,5-dione?
The canonical SMILES for ethenyl acetate;pyrrole-2,5-dione is C=COC(C)=O.O=C1C=CC(=O)N1.
What is the InChIKey of ethenyl acetate;pyrrole-2,5-dione?
The InChIKey is BCQREVSGKWDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3-6-4(2)5/h1-2H,(H,5,6,7);3H,1H2,2H3.
What are the key properties of ethenyl acetate;pyrrole-2,5-dione?
ethenyl acetate;pyrrole-2,5-dione has a molecular weight of 183.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;pyrrole-2,5-dione is sourced from PubChem (CID 22164001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).