4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C30H28N2O4 — CID 22917893

IUPAC4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=CCC12C=CC(C1)C1C(=O)N(c3ccc(N4C(=O)C5C6C=CC(CC=C)(C6)C5C4=O)cc3)C(=O)C12
InChIInChI=1S/C30H28N2O4/c1-3-11-29-13-9-17(15-29)21-23(29)27(35)31(25(21)33)19-5-7-20(8-6-19)32-26(34)22-18-10-14-30(16-18,12-4-2)24(22)28(32)36/h3-10,13-14,17-18,21-24H,1-2,11-12,15-16H2
InChIKeyORNBILWFSRBVRT-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.20
Rot. Bonds6

About 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 22917893) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID22917893
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=CCC12C=CC(C1)C1C(=O)N(c3ccc(N4C(=O)C5C6C=CC(CC=C)(C6)C5C4=O)cc3)C(=O)C12
InChIInChI=1S/C30H28N2O4/c1-3-11-29-13-9-17(15-29)21-23(29)27(35)31(25(21)33)19-5-7-20(8-6-19)32-26(34)22-18-10-14-30(16-18,12-4-2)24(22)28(32)36/h3-10,13-14,17-18,21-24H,1-2,11-12,15-16H2
InChIKeyORNBILWFSRBVRT-UHFFFAOYSA-N
XLogP4.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-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-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 22917893) is 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is C=CCC12C=CC(C1)C1C(=O)N(c3ccc(N4C(=O)C5C6C=CC(CC=C)(C6)C5C4=O)cc3)C(=O)C12.
What is the InChIKey of 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is ORNBILWFSRBVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-3-11-29-13-9-17(15-29)21-23(29)27(35)31(25(21)33)19-5-7-20(8-6-19)32-26(34)22-18-10-14-30(16-18,12-4-2)24(22)28(32)36/h3-10,13-14,17-18,21-24H,1-2,11-12,15-16H2.
What are the key properties of 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 480.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dioxo-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 22917893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).