2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one

C11H17NO — CID 121220899

IUPAC2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
SMILESCN1C2CCC3C(CCC(=O)C31)C2
InChIInChI=1S/C11H17NO/c1-12-8-3-4-9-7(6-8)2-5-10(13)11(9)12/h7-9,11H,2-6H2,1H3
InChIKeyZEKFUBFWWOIYCF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one

2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one (PubChem CID 121220899) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one.

Molecular Properties

Compound Name2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
PubChem CID121220899
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
SMILESCN1C2CCC3C(CCC(=O)C31)C2
InChIInChI=1S/C11H17NO/c1-12-8-3-4-9-7(6-8)2-5-10(13)11(9)12/h7-9,11H,2-6H2,1H3
InChIKeyZEKFUBFWWOIYCF-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-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

Related Compounds

(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 131180143
(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 134858409
2,5-Dimethyl-2-azabicyclo[2.2.2]octan-6-one
CID 124183541
2-Methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 12447993
1-[1-(3,4-Dimethylcyclohexyl)piperidin-2-yl]ethanone
CID 64738564
2-[1-(3,4-Dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one
CID 79536574
(1R,4S,5R,8R)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 101412060
(1S,4R,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 101412061
2-Methyl-2-azabicyclo[3.3.1]nonan-9-one
CID 130031380
(4S,8R)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 177390387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one?
The IUPAC name of 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one (CID 121220899) is 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one.
What is the SMILES notation for 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one?
The canonical SMILES for 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one is CN1C2CCC3C(CCC(=O)C31)C2.
What is the InChIKey of 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one?
The InChIKey is ZEKFUBFWWOIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-8-3-4-9-7(6-8)2-5-10(13)11(9)12/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one?
2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one has a molecular weight of 179.26 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one is sourced from PubChem (CID 121220899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).