1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one

C13H13NO — CID 118609799

IUPAC1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2=c3ccccc3=CCN12
InChIInChI=1S/C13H13NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,8H,3,6-7,9H2
InChIKeyKMWWAXULQYAPED-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.60
Rot. Bonds

About 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one

1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one (PubChem CID 118609799) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one
PubChem CID118609799
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2=c3ccccc3=CCN12
InChIInChI=1S/C13H13NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,8H,3,6-7,9H2
InChIKeyKMWWAXULQYAPED-UHFFFAOYSA-N
XLogP0.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one?
The IUPAC name of 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one (CID 118609799) is 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one is O=C1CCCC2=c3ccccc3=CCN12.
What is the InChIKey of 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one?
The InChIKey is KMWWAXULQYAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,8H,3,6-7,9H2.
What are the key properties of 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one?
1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one has a molecular weight of 199.25 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).