2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one

C10H15NO — CID 131966011

IUPAC2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC1(C)C2CC3C(=O)NC1C3C2
InChIInChI=1S/C10H15NO/c1-10(2)5-3-6-7(4-5)9(12)11-8(6)10/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyPSAMXWGHPSMAHY-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.17
Rot. Bonds

About 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one

2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 131966011) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID131966011
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC1(C)C2CC3C(=O)NC1C3C2
InChIInChI=1S/C10H15NO/c1-10(2)5-3-6-7(4-5)9(12)11-8(6)10/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyPSAMXWGHPSMAHY-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one (CID 131966011) is 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one is CC1(C)C2CC3C(=O)NC1C3C2.
What is the InChIKey of 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is PSAMXWGHPSMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)5-3-6-7(4-5)9(12)11-8(6)10/h5-8H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 165.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 131966011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).