8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one

C10H15NO — CID 118943962

IUPAC8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one
SMILESCN1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C10H15NO/c1-11-9-5-8(10(11)12)6-3-2-4-7(6)9/h6-9H,2-5H2,1H3
InChIKeyNQWFZUJOOZLHOW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.26
Rot. Bonds

About 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one

8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one (PubChem CID 118943962) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one.

Molecular Properties

Compound Name8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one
PubChem CID118943962
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one
SMILESCN1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C10H15NO/c1-11-9-5-8(10(11)12)6-3-2-4-7(6)9/h6-9H,2-5H2,1H3
InChIKeyNQWFZUJOOZLHOW-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one?
The IUPAC name of 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one (CID 118943962) is 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one.
What is the SMILES notation for 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one?
The canonical SMILES for 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one is CN1C(=O)C2CC1C1CCCC21.
What is the InChIKey of 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one?
The InChIKey is NQWFZUJOOZLHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-9-5-8(10(11)12)6-3-2-4-7(6)9/h6-9H,2-5H2,1H3.
What are the key properties of 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one?
8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one has a molecular weight of 165.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azatricyclo[5.2.1.02,6]decan-9-one is sourced from PubChem (CID 118943962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).