1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one

C13H15NO — CID 13144291

IUPAC1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2c3ccccc3CCN12
InChIInChI=1S/C13H15NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,12H,3,6-9H2
InChIKeyWEAXKMDHHDNXKM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.30
Rot. Bonds

About 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one

1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one (PubChem CID 13144291) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
PubChem CID13144291
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2c3ccccc3CCN12
InChIInChI=1S/C13H15NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,12H,3,6-9H2
InChIKeyWEAXKMDHHDNXKM-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
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1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
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2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
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CID 96522461
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
CID 23265389
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The IUPAC name of 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one (CID 13144291) is 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one is O=C1CCCC2c3ccccc3CCN12.
What is the InChIKey of 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The InChIKey is WEAXKMDHHDNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h1-2,4-5,12H,3,6-9H2.
What are the key properties of 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 13144291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).