(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one

C13H17NO — CID 11287165

IUPAC(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one
SMILESO=C1CCCC2=C1C=C[C@@H]1CCCCN21
InChIInChI=1S/C13H17NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyBQDJBANSBJFRQZ-JTQLQIEISA-N
MW203.28 g/mol
LogP2.42
Rot. Bonds

About (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one

(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one (PubChem CID 11287165) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one.

Molecular Properties

Compound Name(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one
PubChem CID11287165
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one
SMILESO=C1CCCC2=C1C=C[C@@H]1CCCCN21
InChIInChI=1S/C13H17NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyBQDJBANSBJFRQZ-JTQLQIEISA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one?
The IUPAC name of (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one (CID 11287165) is (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one.
What is the SMILES notation for (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one?
The canonical SMILES for (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one is O=C1CCCC2=C1C=C[C@@H]1CCCCN21.
What is the InChIKey of (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one?
The InChIKey is BQDJBANSBJFRQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO/c15-13-6-3-5-12-11(13)8-7-10-4-1-2-9-14(10)12/h7-8,10H,1-6,9H2/t10-/m0/s1.
What are the key properties of (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one?
(4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one has a molecular weight of 203.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-1,2,3,4,4a,8,9,10-octahydrobenzo[c]quinolizin-7-one is sourced from PubChem (CID 11287165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).