acetamide;pyrrole-2,5-dione

C8H13N3O4 — CID 159695137

IUPACacetamide;pyrrole-2,5-dione
SMILESCC(N)=O.CC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.2C2H5NO/c6-3-1-2-4(7)5-3;2*1-2(3)4/h1-2H,(H,5,6,7);2*1H3,(H2,3,4)
InChIKeyMWXIKCXZJYGFGN-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.82
Rot. Bonds

About acetamide;pyrrole-2,5-dione

acetamide;pyrrole-2,5-dione (PubChem CID 159695137) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is acetamide;pyrrole-2,5-dione.

Molecular Properties

Compound Nameacetamide;pyrrole-2,5-dione
PubChem CID159695137
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Nameacetamide;pyrrole-2,5-dione
SMILESCC(N)=O.CC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.2C2H5NO/c6-3-1-2-4(7)5-3;2*1-2(3)4/h1-2H,(H,5,6,7);2*1H3,(H2,3,4)
InChIKeyMWXIKCXZJYGFGN-UHFFFAOYSA-N
XLogP-1.82
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;pyrrole-2,5-dione?
The IUPAC name of acetamide;pyrrole-2,5-dione (CID 159695137) is acetamide;pyrrole-2,5-dione.
What is the SMILES notation for acetamide;pyrrole-2,5-dione?
The canonical SMILES for acetamide;pyrrole-2,5-dione is CC(N)=O.CC(N)=O.O=C1C=CC(=O)N1.
What is the InChIKey of acetamide;pyrrole-2,5-dione?
The InChIKey is MWXIKCXZJYGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.2C2H5NO/c6-3-1-2-4(7)5-3;2*1-2(3)4/h1-2H,(H,5,6,7);2*1H3,(H2,3,4).
What are the key properties of acetamide;pyrrole-2,5-dione?
acetamide;pyrrole-2,5-dione has a molecular weight of 215.21 g/mol, XLogP of -1.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;pyrrole-2,5-dione is sourced from PubChem (CID 159695137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).