acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione

C10H12N2O7 — CID 175311081

IUPACacetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H3NO2.C2H4O2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3;1-2(3)4/h8H,1-2H2;1-2H,(H,5,6,7);1H3,(H,3,4)
InChIKeySUEVTSTYABKBSK-UHFFFAOYSA-N
MW272.21 g/mol
LogP-1.19
Rot. Bonds

About acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione

acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione (PubChem CID 175311081) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Nameacetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
PubChem CID175311081
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Nameacetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H3NO2.C2H4O2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3;1-2(3)4/h8H,1-2H2;1-2H,(H,5,6,7);1H3,(H,3,4)
InChIKeySUEVTSTYABKBSK-UHFFFAOYSA-N
XLogP-1.19
TPSA141.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione (CID 175311081) is acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione is CC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1O.
What is the InChIKey of acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The InChIKey is SUEVTSTYABKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C4H3NO2.C2H4O2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3;1-2(3)4/h8H,1-2H2;1-2H,(H,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione has a molecular weight of 272.21 g/mol, XLogP of -1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 175311081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).