1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione

C10H8N2O3 — CID 100953028

IUPAC1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(=O)n1cccc1
InChIInChI=1S/C10H8N2O3/c13-8-3-4-9(14)12(8)7-10(15)11-5-1-2-6-11/h1-6H,7H2
InChIKeyLBFJXNGUYXCVCD-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.05
Rot. Bonds2

About 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione

1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione (PubChem CID 100953028) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione
PubChem CID100953028
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(=O)n1cccc1
InChIInChI=1S/C10H8N2O3/c13-8-3-4-9(14)12(8)7-10(15)11-5-1-2-6-11/h1-6H,7H2
InChIKeyLBFJXNGUYXCVCD-UHFFFAOYSA-N
XLogP0.05
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692341
2-(2,5-dioxopyrrol-1-yl)acetyl chloride
CID 11829930
methane;1-(2-oxopropyl)pyrrole-2,5-dione
CID 158929127
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
CID 174707284
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione
CID 87428853
benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 101006718
2-(methylamino)-1-pyrrol-1-ylethanone
CID 141121778
1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
CID 61463085
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione (CID 100953028) is 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(=O)n1cccc1.
What is the InChIKey of 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is LBFJXNGUYXCVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-3-4-9(14)12(8)7-10(15)11-5-1-2-6-11/h1-6H,7H2.
What are the key properties of 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione?
1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 204.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrol-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 100953028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).