4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C24H28N2O4 — CID 3137738

IUPAC4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C24H28N2O4/c27-21-17-13-5-6-14(11-13)18(17)22(28)25(21)9-3-1-2-4-10-26-23(29)19-15-7-8-16(12-15)20(19)24(26)30/h5-8,13-20H,1-4,9-12H2
InChIKeyUJZZXCPUMDIVQI-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.16
Rot. Bonds7

About 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 3137738) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID3137738
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C24H28N2O4/c27-21-17-13-5-6-14(11-13)18(17)22(28)25(21)9-3-1-2-4-10-26-23(29)19-15-7-8-16(12-15)20(19)24(26)30/h5-8,13-20H,1-4,9-12H2
InChIKeyUJZZXCPUMDIVQI-UHFFFAOYSA-N
XLogP2.16
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 3137738) is 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1CCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is UJZZXCPUMDIVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-21-17-13-5-6-14(11-13)18(17)22(28)25(21)9-3-1-2-4-10-26-23(29)19-15-7-8-16(12-15)20(19)24(26)30/h5-8,13-20H,1-4,9-12H2.
What are the key properties of 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 408.50 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 3137738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).