8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C10H17NO — CID 118636069

IUPAC8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCC1CCN2C(=O)CCCC2C1
InChIInChI=1S/C10H17NO/c1-8-5-6-11-9(7-8)3-2-4-10(11)12/h8-9H,2-7H2,1H3
InChIKeyWQUHBTKLZMFPPU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds

About 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 118636069) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID118636069
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCC1CCN2C(=O)CCCC2C1
InChIInChI=1S/C10H17NO/c1-8-5-6-11-9(7-8)3-2-4-10(11)12/h8-9H,2-7H2,1H3
InChIKeyWQUHBTKLZMFPPU-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 118636069) is 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is CC1CCN2C(=O)CCCC2C1.
What is the InChIKey of 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is WQUHBTKLZMFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-6-11-9(7-8)3-2-4-10(11)12/h8-9H,2-7H2,1H3.
What are the key properties of 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 118636069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).