5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione

C16H23NO2 — CID 3522891

IUPAC5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
SMILESCC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12
InChIInChI=1S/C16H23NO2/c1-10-11-6-4-5-7-17(11)12-8-16(2,3)9-13(18)14(12)15(10)19/h10-11H,4-9H2,1-3H3
InChIKeyZHNJPBGBQFADIA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.70
Rot. Bonds

About 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione

5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione (PubChem CID 3522891) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione.

Molecular Properties

Compound Name5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
PubChem CID3522891
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
SMILESCC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12
InChIInChI=1S/C16H23NO2/c1-10-11-6-4-5-7-17(11)12-8-16(2,3)9-13(18)14(12)15(10)19/h10-11H,4-9H2,1-3H3
InChIKeyZHNJPBGBQFADIA-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The IUPAC name of 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione (CID 3522891) is 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione.
What is the SMILES notation for 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The canonical SMILES for 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione is CC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12.
What is the InChIKey of 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The InChIKey is ZHNJPBGBQFADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-11-6-4-5-7-17(11)12-8-16(2,3)9-13(18)14(12)15(10)19/h10-11H,4-9H2,1-3H3.
What are the key properties of 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione has a molecular weight of 261.36 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-trimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione is sourced from PubChem (CID 3522891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).