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

C22H24N2O4 — CID 2945689

IUPAC4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C22H24N2O4/c25-19-15-11-3-4-12(9-11)16(15)20(26)23(19)7-1-2-8-24-21(27)17-13-5-6-14(10-13)18(17)22(24)28/h3-6,11-18H,1-2,7-10H2
InChIKeyHZWPOLHNDNVIIT-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.38
Rot. Bonds5

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

4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2945689) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2945689
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C22H24N2O4/c25-19-15-11-3-4-12(9-11)16(15)20(26)23(19)7-1-2-8-24-21(27)17-13-5-6-14(10-13)18(17)22(24)28/h3-6,11-18H,1-2,7-10H2
InChIKeyHZWPOLHNDNVIIT-UHFFFAOYSA-N
XLogP1.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.38
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-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2945689) is 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is HZWPOLHNDNVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-19-15-11-3-4-12(9-11)16(15)20(26)23(19)7-1-2-8-24-21(27)17-13-5-6-14(10-13)18(17)22(24)28/h3-6,11-18H,1-2,7-10H2.
What are the key properties of 4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 380.44 g/mol, XLogP of 1.38, 5 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-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2945689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).