2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione

C9H13NO2 — CID 164802579

IUPAC2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
SMILESO=C1CCC2CCC(=O)CN2C1
InChIInChI=1S/C9H13NO2/c11-8-3-1-7-2-4-9(12)6-10(7)5-8/h7H,1-6H2
InChIKeyGEQCNJRCAMKSSU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds

About 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione

2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione (PubChem CID 164802579) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione.

Molecular Properties

Compound Name2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
PubChem CID164802579
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
SMILESO=C1CCC2CCC(=O)CN2C1
InChIInChI=1S/C9H13NO2/c11-8-3-1-7-2-4-9(12)6-10(7)5-8/h7H,1-6H2
InChIKeyGEQCNJRCAMKSSU-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione?
The IUPAC name of 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione (CID 164802579) is 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione.
What is the SMILES notation for 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione?
The canonical SMILES for 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione is O=C1CCC2CCC(=O)CN2C1.
What is the InChIKey of 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione?
The InChIKey is GEQCNJRCAMKSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-3-1-7-2-4-9(12)6-10(7)5-8/h7H,1-6H2.
What are the key properties of 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione?
2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione has a molecular weight of 167.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione is sourced from PubChem (CID 164802579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).