1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one

C13H19NO — CID 24971554

IUPAC1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one
SMILESO=C1CCCC2=C1CCC1CCCCN21
InChIInChI=1S/C13H19NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h10H,1-9H2
InChIKeyWXQNBIXLAGYMEA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds

About 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one

1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one (PubChem CID 24971554) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one
PubChem CID24971554
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one
SMILESO=C1CCCC2=C1CCC1CCCCN21
InChIInChI=1S/C13H19NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h10H,1-9H2
InChIKeyWXQNBIXLAGYMEA-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one?
The IUPAC name of 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one (CID 24971554) is 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one.
What is the SMILES notation for 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one?
The canonical SMILES for 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one is O=C1CCCC2=C1CCC1CCCCN21.
What is the InChIKey of 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one?
The InChIKey is WXQNBIXLAGYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h10H,1-9H2.
What are the key properties of 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one?
1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one has a molecular weight of 205.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one is sourced from PubChem (CID 24971554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).