10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C17H15NO2 — CID 2959022

IUPAC10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(=C1C2C=CC1C1C(=O)NC(=O)C21)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(13)15-14(11)16(19)18-17(15)20/h2-8,11-12,14-15H,1H3,(H,18,19,20)
InChIKeyFRLZAGNPTZJUDI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.16
Rot. Bonds1

About 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2959022) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2959022
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(=C1C2C=CC1C1C(=O)NC(=O)C21)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(13)15-14(11)16(19)18-17(15)20/h2-8,11-12,14-15H,1H3,(H,18,19,20)
InChIKeyFRLZAGNPTZJUDI-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-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

Fenimide
CID 6068
3-Phenylpyrrolidine-2,5-dione
CID 568890
(+-)-3-Benzylsuccinimide
CID 3050332
10-[Bis(4-methylphenyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2957057
N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-phenylacetamide
CID 3104493
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 3239481
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)propanamide
CID 3243722
N-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanamide
CID 2963350
3-Methyl-4-phenylpyrrolidine-2,5-dione
CID 3728438
2-benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2836808
2,5-Pyrrolidinedione, 3-(4-(1-methylethyl)phenyl)-
CID 3087701
N-((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-2-phenylacetamide
CID 12004493

Frequently Asked Questions

What is the IUPAC name of 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2959022) is 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC(=C1C2C=CC1C1C(=O)NC(=O)C21)c1ccccc1.
What is the InChIKey of 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is FRLZAGNPTZJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(13)15-14(11)16(19)18-17(15)20/h2-8,11-12,14-15H,1H3,(H,18,19,20).
What are the key properties of 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 265.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2959022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).