(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine

C9H17NO — CID 130249101

IUPAC(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine
SMILESCOC1C/C=C\C(C)CCN1
InChIInChI=1S/C9H17NO/c1-8-4-3-5-9(11-2)10-7-6-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-
InChIKeyHVKAKDRJBGGARB-ARJAWSKDSA-N
MW155.24 g/mol
LogP1.53
Rot. Bonds1

About (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine

(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine (PubChem CID 130249101) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine.

Molecular Properties

Compound Name(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine
PubChem CID130249101
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine
SMILESCOC1C/C=C\C(C)CCN1
InChIInChI=1S/C9H17NO/c1-8-4-3-5-9(11-2)10-7-6-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-
InChIKeyHVKAKDRJBGGARB-ARJAWSKDSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine?
The IUPAC name of (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine (CID 130249101) is (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine.
What is the SMILES notation for (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine?
The canonical SMILES for (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine is COC1C/C=C\C(C)CCN1.
What is the InChIKey of (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine?
The InChIKey is HVKAKDRJBGGARB-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-3-5-9(11-2)10-7-6-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-.
What are the key properties of (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine?
(5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine has a molecular weight of 155.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-methoxy-4-methyl-1,2,3,4,7,8-hexahydroazocine is sourced from PubChem (CID 130249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).