4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

C15H16N2O4 — CID 72970291

IUPAC4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
SMILESCC1=CC2C3C(=O)N(C)C(=O)C3C1C1C(=O)N(C)C(=O)C21
InChIInChI=1S/C15H16N2O4/c1-5-4-6-8-10(14(20)16(2)12(8)18)7(5)11-9(6)13(19)17(3)15(11)21/h4,6-11H,1-3H3
InChIKeyKOMNKYYYDOQBJT-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.35
Rot. Bonds

About 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone (PubChem CID 72970291) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.

Molecular Properties

Compound Name4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
PubChem CID72970291
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
SMILESCC1=CC2C3C(=O)N(C)C(=O)C3C1C1C(=O)N(C)C(=O)C21
InChIInChI=1S/C15H16N2O4/c1-5-4-6-8-10(14(20)16(2)12(8)18)7(5)11-9(6)13(19)17(3)15(11)21/h4,6-11H,1-3H3
InChIKeyKOMNKYYYDOQBJT-UHFFFAOYSA-N
XLogP-0.35
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The IUPAC name of 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone (CID 72970291) is 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.
What is the SMILES notation for 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The canonical SMILES for 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone is CC1=CC2C3C(=O)N(C)C(=O)C3C1C1C(=O)N(C)C(=O)C21.
What is the InChIKey of 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The InChIKey is KOMNKYYYDOQBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-5-4-6-8-10(14(20)16(2)12(8)18)7(5)11-9(6)13(19)17(3)15(11)21/h4,6-11H,1-3H3.
What are the key properties of 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone has a molecular weight of 288.30 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,13-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone is sourced from PubChem (CID 72970291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).