1,6,7,8,9,9a-hexahydroquinolizin-4-one

C9H13NO — CID 11457783

IUPAC1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1C=CCC2CCCCN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h3,6,8H,1-2,4-5,7H2
InChIKeyNYSKOVUSWSJZOY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 1,6,7,8,9,9a-hexahydroquinolizin-4-one

1,6,7,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 11457783) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,6,7,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name1,6,7,8,9,9a-hexahydroquinolizin-4-one
PubChem CID11457783
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1C=CCC2CCCCN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h3,6,8H,1-2,4-5,7H2
InChIKeyNYSKOVUSWSJZOY-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 1,6,7,8,9,9a-hexahydroquinolizin-4-one (CID 11457783) is 1,6,7,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 1,6,7,8,9,9a-hexahydroquinolizin-4-one is O=C1C=CCC2CCCCN12.
What is the InChIKey of 1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is NYSKOVUSWSJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 1,6,7,8,9,9a-hexahydroquinolizin-4-one?
1,6,7,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 11457783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).