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

C14H17NO2 — CID 15521808

IUPAC9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
SMILESCOc1ccc2c(c1)C(=O)C1CCCCN1C2
InChIInChI=1S/C14H17NO2/c1-17-11-6-5-10-9-15-7-3-2-4-13(15)14(16)12(10)8-11/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyHXSNWPLBTUNGGT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds1

About 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one

9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one (PubChem CID 15521808) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one.

Molecular Properties

Compound Name9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
PubChem CID15521808
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
SMILESCOc1ccc2c(c1)C(=O)C1CCCCN1C2
InChIInChI=1S/C14H17NO2/c1-17-11-6-5-10-9-15-7-3-2-4-13(15)14(16)12(10)8-11/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyHXSNWPLBTUNGGT-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one?
The IUPAC name of 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one (CID 15521808) is 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one.
What is the SMILES notation for 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one?
The canonical SMILES for 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one is COc1ccc2c(c1)C(=O)C1CCCCN1C2.
What is the InChIKey of 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one?
The InChIKey is HXSNWPLBTUNGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-11-6-5-10-9-15-7-3-2-4-13(15)14(16)12(10)8-11/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one?
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one has a molecular weight of 231.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one is sourced from PubChem (CID 15521808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).