10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C21H21NO2 — CID 659549

IUPAC10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C21H21NO2/c23-20-18-15-11-12-16(17(15)13-7-3-1-4-8-13)19(18)21(24)22(20)14-9-5-2-6-10-14/h2,5-6,9-12,15-16,18-19H,1,3-4,7-8H2
InChIKeyVGVPAIMZXLCLBI-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.87
Rot. Bonds1

About 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 659549) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID659549
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C21H21NO2/c23-20-18-15-11-12-16(17(15)13-7-3-1-4-8-13)19(18)21(24)22(20)14-9-5-2-6-10-14/h2,5-6,9-12,15-16,18-19H,1,3-4,7-8H2
InChIKeyVGVPAIMZXLCLBI-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.87
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 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 659549) is 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1.
What is the InChIKey of 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is VGVPAIMZXLCLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-18-15-11-12-16(17(15)13-7-3-1-4-8-13)19(18)21(24)22(20)14-9-5-2-6-10-14/h2,5-6,9-12,15-16,18-19H,1,3-4,7-8H2.
What are the key properties of 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 319.40 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 659549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).