11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one

C11H17NO — CID 121222238

IUPAC11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
SMILESCN1C2CC(=O)CC1C1CCCC12
InChIInChI=1S/C11H17NO/c1-12-10-5-7(13)6-11(12)9-4-2-3-8(9)10/h8-11H,2-6H2,1H3
InChIKeyLHMYKUGJJMQYLX-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds

About 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one

11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one (PubChem CID 121222238) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one.

Molecular Properties

Compound Name11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
PubChem CID121222238
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
SMILESCN1C2CC(=O)CC1C1CCCC12
InChIInChI=1S/C11H17NO/c1-12-10-5-7(13)6-11(12)9-4-2-3-8(9)10/h8-11H,2-6H2,1H3
InChIKeyLHMYKUGJJMQYLX-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

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one?
The IUPAC name of 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one (CID 121222238) is 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one.
What is the SMILES notation for 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one?
The canonical SMILES for 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one is CN1C2CC(=O)CC1C1CCCC12.
What is the InChIKey of 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one?
The InChIKey is LHMYKUGJJMQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-10-5-7(13)6-11(12)9-4-2-3-8(9)10/h8-11H,2-6H2,1H3.
What are the key properties of 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one?
11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-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 11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one is sourced from PubChem (CID 121222238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).