1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione

C11H11NO3 — CID 139917291

IUPAC1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESO=C1CC2(N3C(=O)C=CC3=O)CCC1C2
InChIInChI=1S/C11H11NO3/c13-8-6-11(4-3-7(8)5-11)12-9(14)1-2-10(12)15/h1-2,7H,3-6H2
InChIKeyGXAWYWUBMXFOFH-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.42
Rot. Bonds1

About 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione

1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (PubChem CID 139917291) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
PubChem CID139917291
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESO=C1CC2(N3C(=O)C=CC3=O)CCC1C2
InChIInChI=1S/C11H11NO3/c13-8-6-11(4-3-7(8)5-11)12-9(14)1-2-10(12)15/h1-2,7H,3-6H2
InChIKeyGXAWYWUBMXFOFH-UHFFFAOYSA-N
XLogP0.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dioxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 139917308
1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
CID 163583484
6-oxobicyclo[3.2.1]octane-1-carboxylic acid
CID 12504898
(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
CID 10536289
1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
CID 106210532
1-[3-(2,5-dioxopyrrol-1-yl)-3-ethylcyclohexyl]pyrrole-2,5-dione
CID 68537647
(6R)-6-hydroxyspiro[4-oxatricyclo[6.2.2.01,6]dodecane-2,3'-cyclohexa-1,4-diene]-5,9-dione
CID 134947398
1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
CID 79870484
1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 135374921
1-hydroxy-2H-pyridine-3,6-dione
CID 130027681
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione
CID 19077999
(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 146162040

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (CID 139917291) is 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is O=C1CC2(N3C(=O)C=CC3=O)CCC1C2.
What is the InChIKey of 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The InChIKey is GXAWYWUBMXFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-8-6-11(4-3-7(8)5-11)12-9(14)1-2-10(12)15/h1-2,7H,3-6H2.
What are the key properties of 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is sourced from PubChem (CID 139917291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).