3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

C16H22N2O4 — CID 5249441

IUPAC3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3C21
InChIInChI=1S/C16H22N2O4/c1-15(2)11(19)7-8-10(9(7)17(5)13(15)21)18(6)14(22)16(3,4)12(8)20/h7-10H,1-6H3
InChIKeyNXWPRULLYUTNMW-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.10
Rot. Bonds

About 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (PubChem CID 5249441) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.

Molecular Properties

Compound Name3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
PubChem CID5249441
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3C21
InChIInChI=1S/C16H22N2O4/c1-15(2)11(19)7-8-10(9(7)17(5)13(15)21)18(6)14(22)16(3,4)12(8)20/h7-10H,1-6H3
InChIKeyNXWPRULLYUTNMW-UHFFFAOYSA-N
XLogP0.10
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The IUPAC name of 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (CID 5249441) is 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.
What is the SMILES notation for 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The canonical SMILES for 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is CN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3C21.
What is the InChIKey of 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The InChIKey is NXWPRULLYUTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-15(2)11(19)7-8-10(9(7)17(5)13(15)21)18(6)14(22)16(3,4)12(8)20/h7-10H,1-6H3.
What are the key properties of 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone has a molecular weight of 306.36 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,10,10,12-hexamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is sourced from PubChem (CID 5249441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).