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

C11H13NO2 — CID 140561006

IUPAC3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESO=C1C=C(C23CCC(CC2)C3)C(=O)N1
InChIInChI=1S/C11H13NO2/c13-9-5-8(10(14)12-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2,(H,12,13,14)
InChIKeyIMOQVHZEOLAEQQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.15
Rot. Bonds1

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

3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (PubChem CID 140561006) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
PubChem CID140561006
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESO=C1C=C(C23CCC(CC2)C3)C(=O)N1
InChIInChI=1S/C11H13NO2/c13-9-5-8(10(14)12-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2,(H,12,13,14)
InChIKeyIMOQVHZEOLAEQQ-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (CID 140561006) is 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is O=C1C=C(C23CCC(CC2)C3)C(=O)N1.
What is the InChIKey of 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The InChIKey is IMOQVHZEOLAEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-5-8(10(14)12-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2,(H,12,13,14).
What are the key properties of 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione has a molecular weight of 191.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is sourced from PubChem (CID 140561006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).