1,2,3,8,9,9a-hexahydroquinolizin-4-one

C9H13NO — CID 12710061

IUPAC1,2,3,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CCCC2CCC=CN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h2,7-8H,1,3-6H2
InChIKeyOBGRSGUDNGTNBA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.67
Rot. Bonds

About 1,2,3,8,9,9a-hexahydroquinolizin-4-one

1,2,3,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 12710061) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,3,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name1,2,3,8,9,9a-hexahydroquinolizin-4-one
PubChem CID12710061
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,2,3,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CCCC2CCC=CN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h2,7-8H,1,3-6H2
InChIKeyOBGRSGUDNGTNBA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 1,2,3,8,9,9a-hexahydroquinolizin-4-one (CID 12710061) is 1,2,3,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 1,2,3,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 1,2,3,8,9,9a-hexahydroquinolizin-4-one is O=C1CCCC2CCC=CN12.
What is the InChIKey of 1,2,3,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is OBGRSGUDNGTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h2,7-8H,1,3-6H2.
What are the key properties of 1,2,3,8,9,9a-hexahydroquinolizin-4-one?
1,2,3,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 12710061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).