1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione

C12H13NO2 — CID 11651358

IUPAC1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H13NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2/t8-,9+,10?/m1/s1
InChIKeyNEOPMMNTPOTLKR-ZDGBYWQASA-N
MW203.24 g/mol
LogP1.12
Rot. Bonds2

About 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione

1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione (PubChem CID 11651358) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione
PubChem CID11651358
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H13NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2/t8-,9+,10?/m1/s1
InChIKeyNEOPMMNTPOTLKR-ZDGBYWQASA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.12
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'}

Analyze 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Bicyclo[2.2.1]hept-2-enylmethyl)pyrrole-2,5-dione
CID 17845259
1-[2-(3-Ethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl]pyrrole-2,5-dione
CID 20314829
1-[8-(3-Ethyl-2-bicyclo[2.2.1]hept-5-enyl)octyl]pyrrole-2,5-dione
CID 20314830
1-[10-(3-Methyl-2-bicyclo[2.2.1]hept-5-enyl)decyl]pyrrole-2,5-dione
CID 20314832
1-[11-(3-Butyl-2-bicyclo[2.2.1]hept-5-enyl)undecyl]pyrrole-2,5-dione
CID 20314833
1-[3-(3-Propyl-2-bicyclo[2.2.1]hept-5-enyl)propyl]pyrrole-2,5-dione
CID 20314834
1-[3-(2-Bicyclo[2.2.1]hept-5-enyl)propyl]pyrrole-2,5-dione
CID 20314836
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)pyrrole-2,5-dione
CID 20314843
1-[(3-Octadecyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]pyrrole-2,5-dione
CID 20314844
1-[(3-Hexyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]pyrrole-2,5-dione
CID 20314852
1-[(6-Ethyl-1-bicyclo[2.2.1]hept-2-enyl)methyl]pyrrole-2,5-dione
CID 20314859
1-[16-(3-Methyl-2-bicyclo[2.2.1]hept-5-enyl)hexadecyl]pyrrole-2,5-dione
CID 20314865

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione (CID 11651358) is 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione?
The InChIKey is NEOPMMNTPOTLKR-ZDGBYWQASA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2/t8-,9+,10?/m1/s1.
What are the key properties of 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione?
1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 11651358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).