4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C11H12N2O4 — CID 170238249

IUPAC4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC(C)N1C(=O)C2C3C(=O)NC(=O)C3C2C1=O
InChIInChI=1S/C11H12N2O4/c1-3(2)13-10(16)6-4-5(7(6)11(13)17)9(15)12-8(4)14/h3-7H,1-2H3,(H,12,14,15)
InChIKeyZOMLKZDTDKRQFR-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.10
Rot. Bonds1

About 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 170238249) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID170238249
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC(C)N1C(=O)C2C3C(=O)NC(=O)C3C2C1=O
InChIInChI=1S/C11H12N2O4/c1-3(2)13-10(16)6-4-5(7(6)11(13)17)9(15)12-8(4)14/h3-7H,1-2H3,(H,12,14,15)
InChIKeyZOMLKZDTDKRQFR-UHFFFAOYSA-N
XLogP-1.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 170238249) is 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is CC(C)N1C(=O)C2C3C(=O)NC(=O)C3C2C1=O.
What is the InChIKey of 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is ZOMLKZDTDKRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3(2)13-10(16)6-4-5(7(6)11(13)17)9(15)12-8(4)14/h3-7H,1-2H3,(H,12,14,15).
What are the key properties of 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 236.23 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 170238249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).