8-methyl-8-azabicyclo[4.3.1]decan-10-one

C10H17NO — CID 541485

IUPAC8-methyl-8-azabicyclo[4.3.1]decan-10-one
SMILESCN1CC2CCCCC(C1)C2=O
InChIInChI=1S/C10H17NO/c1-11-6-8-4-2-3-5-9(7-11)10(8)12/h8-9H,2-7H2,1H3
InChIKeyLMYZMZKIYRBPCZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds

About 8-methyl-8-azabicyclo[4.3.1]decan-10-one

8-methyl-8-azabicyclo[4.3.1]decan-10-one (PubChem CID 541485) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[4.3.1]decan-10-one.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[4.3.1]decan-10-one
PubChem CID541485
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-methyl-8-azabicyclo[4.3.1]decan-10-one
SMILESCN1CC2CCCCC(C1)C2=O
InChIInChI=1S/C10H17NO/c1-11-6-8-4-2-3-5-9(7-11)10(8)12/h8-9H,2-7H2,1H3
InChIKeyLMYZMZKIYRBPCZ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[4.3.1]decan-10-one?
The IUPAC name of 8-methyl-8-azabicyclo[4.3.1]decan-10-one (CID 541485) is 8-methyl-8-azabicyclo[4.3.1]decan-10-one.
What is the SMILES notation for 8-methyl-8-azabicyclo[4.3.1]decan-10-one?
The canonical SMILES for 8-methyl-8-azabicyclo[4.3.1]decan-10-one is CN1CC2CCCCC(C1)C2=O.
What is the InChIKey of 8-methyl-8-azabicyclo[4.3.1]decan-10-one?
The InChIKey is LMYZMZKIYRBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-6-8-4-2-3-5-9(7-11)10(8)12/h8-9H,2-7H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[4.3.1]decan-10-one?
8-methyl-8-azabicyclo[4.3.1]decan-10-one has a molecular weight of 167.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[4.3.1]decan-10-one is sourced from PubChem (CID 541485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).