2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one

C11H18N2O — CID 130007097

IUPAC2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one
SMILESCC1(C)C2CC3NC(=O)NC3(C)C1C2
InChIInChI=1S/C11H18N2O/c1-10(2)6-4-7(10)11(3)8(5-6)12-9(14)13-11/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyJNTZSYUNJIEOAB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds

About 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one

2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one (PubChem CID 130007097) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one.

Molecular Properties

Compound Name2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one
PubChem CID130007097
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one
SMILESCC1(C)C2CC3NC(=O)NC3(C)C1C2
InChIInChI=1S/C11H18N2O/c1-10(2)6-4-7(10)11(3)8(5-6)12-9(14)13-11/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyJNTZSYUNJIEOAB-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one?
The IUPAC name of 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one (CID 130007097) is 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one.
What is the SMILES notation for 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one?
The canonical SMILES for 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one is CC1(C)C2CC3NC(=O)NC3(C)C1C2.
What is the InChIKey of 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one?
The InChIKey is JNTZSYUNJIEOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)6-4-7(10)11(3)8(5-6)12-9(14)13-11/h6-8H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one?
2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-3,5-diazatricyclo[6.1.1.02,6]decan-4-one is sourced from PubChem (CID 130007097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).