(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one

C11H17NO — CID 134992522

IUPAC(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one
SMILESO=C1CCCC2/C=C\CCCCN12
InChIInChI=1S/C11H17NO/c13-11-8-5-7-10-6-3-1-2-4-9-12(10)11/h3,6,10H,1-2,4-5,7-9H2/b6-3-
InChIKeyCCLYYNWGNLUTLX-UTCJRWHESA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds

About (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one

(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one (PubChem CID 134992522) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one.

Molecular Properties

Compound Name(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one
PubChem CID134992522
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one
SMILESO=C1CCCC2/C=C\CCCCN12
InChIInChI=1S/C11H17NO/c13-11-8-5-7-10-6-3-1-2-4-9-12(10)11/h3,6,10H,1-2,4-5,7-9H2/b6-3-
InChIKeyCCLYYNWGNLUTLX-UTCJRWHESA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one?
The IUPAC name of (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one (CID 134992522) is (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one.
What is the SMILES notation for (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one?
The canonical SMILES for (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one is O=C1CCCC2/C=C\CCCCN12.
What is the InChIKey of (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one?
The InChIKey is CCLYYNWGNLUTLX-UTCJRWHESA-N. The full InChI is InChI=1S/C11H17NO/c13-11-8-5-7-10-6-3-1-2-4-9-12(10)11/h3,6,10H,1-2,4-5,7-9H2/b6-3-.
What are the key properties of (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one?
(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one is sourced from PubChem (CID 134992522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).