1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione

C14H17NO2 — CID 59779198

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O
InChIInChI=1S/C14H17NO2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10/h3-4,10-12H,5-7H2,1-2H3
InChIKeyGGZXVHIYTXHIDN-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 59779198) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID59779198
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O
InChIInChI=1S/C14H17NO2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10/h3-4,10-12H,5-7H2,1-2H3
InChIKeyGGZXVHIYTXHIDN-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.90
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione (CID 59779198) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is GGZXVHIYTXHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10/h3-4,10-12H,5-7H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 1.90, 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)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 59779198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).