acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

C10H10N2O6 — CID 69079401

IUPACacetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4.C2H4O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2(3)4/h1-2H,3-4H2;1H3,(H,3,4)
InChIKeyZANNNSXDHNZNME-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.93
Rot. Bonds1

About acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (PubChem CID 69079401) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameacetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
PubChem CID69079401
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Nameacetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESCC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4.C2H4O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2(3)4/h1-2H,3-4H2;1H3,(H,3,4)
InChIKeyZANNNSXDHNZNME-UHFFFAOYSA-N
XLogP-0.93
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 18962863
1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
CID 71114953
Butanoic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 139513216
Acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 161464096
(2,5-Dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
CID 175381082
N-(2,5-dioxopyrrolidin-1-yl)-N-(2,5-dioxopyrrol-1-yl)propanamide
CID 175692903

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (CID 69079401) is acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is CC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O.
What is the InChIKey of acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The InChIKey is ZANNNSXDHNZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4.C2H4O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2(3)4/h1-2H,3-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione has a molecular weight of 254.20 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69079401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).