1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione

C13H15NO2 — CID 66601693

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2CC3C=CC2C3)C1=O
InChIInChI=1S/C13H15NO2/c1-8-4-12(15)14(13(8)16)7-11-6-9-2-3-10(11)5-9/h2-4,9-11H,5-7H2,1H3
InChIKeyIRUHQPCURFWWNF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione (PubChem CID 66601693) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione
PubChem CID66601693
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2CC3C=CC2C3)C1=O
InChIInChI=1S/C13H15NO2/c1-8-4-12(15)14(13(8)16)7-11-6-9-2-3-10(11)5-9/h2-4,9-11H,5-7H2,1H3
InChIKeyIRUHQPCURFWWNF-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione (CID 66601693) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC2CC3C=CC2C3)C1=O.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is IRUHQPCURFWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-12(15)14(13(8)16)7-11-6-9-2-3-10(11)5-9/h2-4,9-11H,5-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.51, 2 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-enylmethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 66601693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).