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

C9H13NO2 — CID 164802583

IUPAC3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
SMILESO=C1CCN2CCC(=O)CC2C1
InChIInChI=1S/C9H13NO2/c11-8-1-3-10-4-2-9(12)6-7(10)5-8/h7H,1-6H2
InChIKeyQEDJKWAJINDUGS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds

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

3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione (PubChem CID 164802583) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione.

Molecular Properties

Compound Name3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
PubChem CID164802583
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
SMILESO=C1CCN2CCC(=O)CC2C1
InChIInChI=1S/C9H13NO2/c11-8-1-3-10-4-2-9(12)6-7(10)5-8/h7H,1-6H2
InChIKeyQEDJKWAJINDUGS-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 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione?
The IUPAC name of 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione (CID 164802583) is 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione.
What is the SMILES notation for 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione?
The canonical SMILES for 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione is O=C1CCN2CCC(=O)CC2C1.
What is the InChIKey of 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione?
The InChIKey is QEDJKWAJINDUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-1-3-10-4-2-9(12)6-7(10)5-8/h7H,1-6H2.
What are the key properties of 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione?
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-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 3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione is sourced from PubChem (CID 164802583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).