1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione

C11H11NO2 — CID 22323214

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CC2C=CC1C2
InChIInChI=1S/C11H11NO2/c13-10-3-4-11(14)12(10)9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6H2
InChIKeyFZRDJNQAONZUGX-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.88
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione

1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione (PubChem CID 22323214) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione
PubChem CID22323214
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CC2C=CC1C2
InChIInChI=1S/C11H11NO2/c13-10-3-4-11(14)12(10)9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6H2
InChIKeyFZRDJNQAONZUGX-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
CID 22573145
1-[8-(2-bicyclo[2.2.1]hept-5-enyl)octyl]pyrrole-2,5-dione
CID 21431928
1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride
CID 155821172
1-(3-aminocyclobutyl)pyrrole-2,5-dione
CID 61348426
2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione
CID 159271930
1-[(1S,2S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66880384
1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66882607
5-methylbicyclo[2.2.1]hept-2-ene;2-methylprop-2-enal;1-methylpyrrole-2,5-dione;prop-1-ene
CID 158447084
1-(4-chlorocyclohexyl)pyrrole-2,5-dione
CID 22988981
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
CID 129111578
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-5-nitroimidazole
CID 134854636
1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione
CID 66880211

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione (CID 22323214) is 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione?
The InChIKey is FZRDJNQAONZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-3-4-11(14)12(10)9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione?
1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione is sourced from PubChem (CID 22323214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).