2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione

C13H13NO2 — CID 22615493

IUPAC2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione
SMILESO=C1c2ccccc2C(=O)N2CCCCC12
InChIInChI=1S/C13H13NO2/c15-12-9-5-1-2-6-10(9)13(16)14-8-4-3-7-11(12)14/h1-2,5-6,11H,3-4,7-8H2
InChIKeyUGTUOJNOHWXJNF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.88
Rot. Bonds

About 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione

2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione (PubChem CID 22615493) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione.

Molecular Properties

Compound Name2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione
PubChem CID22615493
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione
SMILESO=C1c2ccccc2C(=O)N2CCCCC12
InChIInChI=1S/C13H13NO2/c15-12-9-5-1-2-6-10(9)13(16)14-8-4-3-7-11(12)14/h1-2,5-6,11H,3-4,7-8H2
InChIKeyUGTUOJNOHWXJNF-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione?
The IUPAC name of 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione (CID 22615493) is 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione.
What is the SMILES notation for 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione?
The canonical SMILES for 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione is O=C1c2ccccc2C(=O)N2CCCCC12.
What is the InChIKey of 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione?
The InChIKey is UGTUOJNOHWXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-9-5-1-2-6-10(9)13(16)14-8-4-3-7-11(12)14/h1-2,5-6,11H,3-4,7-8H2.
What are the key properties of 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione?
2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione has a molecular weight of 215.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,11a-tetrahydro-1H-benzo[b]quinolizine-6,11-dione is sourced from PubChem (CID 22615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).