1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione

C10H8N2O6 — CID 66775193

IUPAC1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)C(O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6/c13-5-1-2-6(14)11(5)9(17)10(18)12-7(15)3-4-8(12)16/h1-4,9-10,17-18H
InChIKeyHAWHASZHDYODTQ-UHFFFAOYSA-N
MW252.18 g/mol
LogP-2.53
Rot. Bonds3

About 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione

1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione (PubChem CID 66775193) has the molecular formula C10H8N2O6 and a molecular weight of 252.18 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione
PubChem CID66775193
Molecular FormulaC10H8N2O6
Molecular Weight252.18 g/mol
Exact Mass252.04
IUPAC Name1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)C(O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6/c13-5-1-2-6(14)11(5)9(17)10(18)12-7(15)3-4-8(12)16/h1-4,9-10,17-18H
InChIKeyHAWHASZHDYODTQ-UHFFFAOYSA-N
XLogP-2.53
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione (CID 66775193) is 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(O)C(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione?
The InChIKey is HAWHASZHDYODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O6/c13-5-1-2-6(14)11(5)9(17)10(18)12-7(15)3-4-8(12)16/h1-4,9-10,17-18H.
What are the key properties of 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione?
1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione has a molecular weight of 252.18 g/mol, XLogP of -2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 66775193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).