acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione

C10H12N2O6 — CID 161464096

IUPACacetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2.C2H4O2/c2*6-3-1-2-4(7)5-3;1-2(3)4/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);1H3,(H,3,4)
InChIKeyWCEUTCKZSOOCAR-UHFFFAOYSA-N
MW256.21 g/mol
LogP-1.29
Rot. Bonds

About acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione

acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione (PubChem CID 161464096) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameacetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
PubChem CID161464096
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameacetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2.C2H4O2/c2*6-3-1-2-4(7)5-3;1-2(3)4/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);1H3,(H,3,4)
InChIKeyWCEUTCKZSOOCAR-UHFFFAOYSA-N
XLogP-1.29
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19793657
1-Hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19989411
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;pyrrolidine-2,5-dione
CID 66628189
Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
Acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 69079401
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
CID 71114953
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
(2,5-Dioxopyrrolidin-1-yl) butanoate;pyrrole-2,5-dione
CID 139513214
Butanoic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 139513216
Acetic acid;bis(pyrrole-2,5-dione)
CID 140492238

Frequently Asked Questions

What is the IUPAC name of acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The IUPAC name of acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione (CID 161464096) is acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione.
What is the SMILES notation for acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The canonical SMILES for acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione is CC(=O)O.O=C1C=CC(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The InChIKey is WCEUTCKZSOOCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H3NO2.C2H4O2/c2*6-3-1-2-4(7)5-3;1-2(3)4/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione has a molecular weight of 256.21 g/mol, XLogP of -1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione is sourced from PubChem (CID 161464096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).