5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one

C10H15NO — CID 86046597

IUPAC5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one
SMILESCC12CC3CC(C1)C(=O)N(C3)C2
InChIInChI=1S/C10H15NO/c1-10-3-7-2-8(4-10)9(12)11(5-7)6-10/h7-8H,2-6H2,1H3
InChIKeyYKGMGBAJJVGKLD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.26
Rot. Bonds

About 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one

5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one (PubChem CID 86046597) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one.

Molecular Properties

Compound Name5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one
PubChem CID86046597
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one
SMILESCC12CC3CC(C1)C(=O)N(C3)C2
InChIInChI=1S/C10H15NO/c1-10-3-7-2-8(4-10)9(12)11(5-7)6-10/h7-8H,2-6H2,1H3
InChIKeyYKGMGBAJJVGKLD-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 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one?
The IUPAC name of 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one (CID 86046597) is 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one.
What is the SMILES notation for 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one?
The canonical SMILES for 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one is CC12CC3CC(C1)C(=O)N(C3)C2.
What is the InChIKey of 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one?
The InChIKey is YKGMGBAJJVGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10-3-7-2-8(4-10)9(12)11(5-7)6-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one?
5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-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 5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one is sourced from PubChem (CID 86046597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).