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

C17H25NO2 — CID 3565751

IUPAC5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
SMILESCCC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12
InChIInChI=1S/C17H25NO2/c1-4-11-12-7-5-6-8-18(12)13-9-17(2,3)10-14(19)15(13)16(11)20/h11-12H,4-10H2,1-3H3
InChIKeySZYRLEUXZRXBLL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.09
Rot. Bonds1

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

5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione (PubChem CID 3565751) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione.

Molecular Properties

Compound Name5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
PubChem CID3565751
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
SMILESCCC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12
InChIInChI=1S/C17H25NO2/c1-4-11-12-7-5-6-8-18(12)13-9-17(2,3)10-14(19)15(13)16(11)20/h11-12H,4-10H2,1-3H3
InChIKeySZYRLEUXZRXBLL-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The IUPAC name of 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione (CID 3565751) is 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione.
What is the SMILES notation for 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The canonical SMILES for 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione is CCC1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCCC12.
What is the InChIKey of 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
The InChIKey is SZYRLEUXZRXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-11-12-7-5-6-8-18(12)13-9-17(2,3)10-14(19)15(13)16(11)20/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione?
5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione has a molecular weight of 275.39 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione is sourced from PubChem (CID 3565751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).