4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C23H20N2O2 — CID 68543076

IUPAC4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCn1c2ccccc2c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc21
InChIInChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,20-21H,2,11H2,1H3
InChIKeyFHYQYALVOKRIDN-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.13
Rot. Bonds2

About 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 68543076) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID68543076
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCn1c2ccccc2c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc21
InChIInChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,20-21H,2,11H2,1H3
InChIKeyFHYQYALVOKRIDN-UHFFFAOYSA-N
XLogP4.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(9-ethylcarbazol-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 68543076) is 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CCn1c2ccccc2c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc21.
What is the InChIKey of 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is FHYQYALVOKRIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,20-21H,2,11H2,1H3.
What are the key properties of 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 356.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 68543076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).