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

C13H15NO — CID 2752792

IUPAC1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
SMILESO=C1c2ccccc2CC2CCCCN12
InChIInChI=1S/C13H15NO/c15-13-12-7-2-1-5-10(12)9-11-6-3-4-8-14(11)13/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyRMDMKRJRSLNXRR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds

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

1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one (PubChem CID 2752792) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one.

Molecular Properties

Compound Name1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
PubChem CID2752792
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
SMILESO=C1c2ccccc2CC2CCCCN12
InChIInChI=1S/C13H15NO/c15-13-12-7-2-1-5-10(12)9-11-6-3-4-8-14(11)13/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyRMDMKRJRSLNXRR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one?
The IUPAC name of 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one (CID 2752792) is 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one.
What is the SMILES notation for 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one?
The canonical SMILES for 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one is O=C1c2ccccc2CC2CCCCN12.
What is the InChIKey of 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one?
The InChIKey is RMDMKRJRSLNXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-12-7-2-1-5-10(12)9-11-6-3-4-8-14(11)13/h1-2,5,7,11H,3-4,6,8-9H2.
What are the key properties of 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one?
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one has a molecular weight of 201.27 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one is sourced from PubChem (CID 2752792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).