1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione

C11H10N2O5 — CID 67861076

IUPAC1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)N1C(=O)C=C(O)C1=O
InChIInChI=1S/C11H10N2O5/c1-6(5-12-8(15)2-3-9(12)16)13-10(17)4-7(14)11(13)18/h2-4,6,14H,5H2,1H3
InChIKeyUZCKDYQQCYQOSK-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.89
Rot. Bonds3

About 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione

1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione (PubChem CID 67861076) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione
PubChem CID67861076
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)N1C(=O)C=C(O)C1=O
InChIInChI=1S/C11H10N2O5/c1-6(5-12-8(15)2-3-9(12)16)13-10(17)4-7(14)11(13)18/h2-4,6,14H,5H2,1H3
InChIKeyUZCKDYQQCYQOSK-UHFFFAOYSA-N
XLogP-0.89
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
CID 121483270
3-(2,5-dioxopyrrol-1-yl)-2-methylpropane-1-sulfonic acid
CID 118901333
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
1-(2-methyl-3-methylsulfanylpropyl)pyrrole-2,5-dione
CID 63964997
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546
1-(4-hydroxybutan-2-yl)-3-methylpyrrole-2,5-dione
CID 83188112
2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
CID 176791434
1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
CID 106116952
1-(2-cyclononylpropyl)pyrrole-2,5-dione
CID 123502903
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione (CID 67861076) is 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)N1C(=O)C=C(O)C1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione?
The InChIKey is UZCKDYQQCYQOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-6(5-12-8(15)2-3-9(12)16)13-10(17)4-7(14)11(13)18/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione has a molecular weight of 250.21 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 67861076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).