1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione

C13H13NO2 — CID 3702529

IUPAC1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
SMILESO=C1CC(=O)N2CCc3ccccc3C2C1
InChIInChI=1S/C13H13NO2/c15-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13(16)8-10/h1-4,12H,5-8H2
InChIKeyIZBHHBGKEUWKRO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.48
Rot. Bonds

About 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione

1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione (PubChem CID 3702529) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione.

Molecular Properties

Compound Name1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
PubChem CID3702529
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
SMILESO=C1CC(=O)N2CCc3ccccc3C2C1
InChIInChI=1S/C13H13NO2/c15-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13(16)8-10/h1-4,12H,5-8H2
InChIKeyIZBHHBGKEUWKRO-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The IUPAC name of 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione (CID 3702529) is 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione.
What is the SMILES notation for 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The canonical SMILES for 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione is O=C1CC(=O)N2CCc3ccccc3C2C1.
What is the InChIKey of 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The InChIKey is IZBHHBGKEUWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13(16)8-10/h1-4,12H,5-8H2.
What are the key properties of 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione is sourced from PubChem (CID 3702529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).