1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

C15H23NO — CID 10130859

IUPAC1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2CC(C)C3CCCCC3N12
InChIInChI=1S/C15H23NO/c1-10-7-12-9-13(17)8-11(2)16(12)15-6-4-3-5-14(10)15/h8,10,12,14-15H,3-7,9H2,1-2H3
InChIKeyOTEKOMWCEMBUNB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds

About 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (PubChem CID 10130859) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
PubChem CID10130859
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2CC(C)C3CCCCC3N12
InChIInChI=1S/C15H23NO/c1-10-7-12-9-13(17)8-11(2)16(12)15-6-4-3-5-14(10)15/h8,10,12,14-15H,3-7,9H2,1-2H3
InChIKeyOTEKOMWCEMBUNB-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (CID 10130859) is 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is CC1=CC(=O)CC2CC(C)C3CCCCC3N12.
What is the InChIKey of 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The InChIKey is OTEKOMWCEMBUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-12-9-13(17)8-11(2)16(12)15-6-4-3-5-14(10)15/h8,10,12,14-15H,3-7,9H2,1-2H3.
What are the key properties of 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one has a molecular weight of 233.35 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10130859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).