8-methoxy-2,3,6,7-tetrahydroazocine

C8H13NO — CID 69312848

IUPAC8-methoxy-2,3,6,7-tetrahydroazocine
SMILESCO/C1=N/CCC=CCC1
InChIInChI=1S/C8H13NO/c1-10-8-6-4-2-3-5-7-9-8/h2-3H,4-7H2,1H3/b3-2?,9-8+
InChIKeyKUPBYYSLZQHJJW-QGNMHXTJSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds

About 8-methoxy-2,3,6,7-tetrahydroazocine

8-methoxy-2,3,6,7-tetrahydroazocine (PubChem CID 69312848) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 8-methoxy-2,3,6,7-tetrahydroazocine.

Molecular Properties

Compound Name8-methoxy-2,3,6,7-tetrahydroazocine
PubChem CID69312848
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name8-methoxy-2,3,6,7-tetrahydroazocine
SMILESCO/C1=N/CCC=CCC1
InChIInChI=1S/C8H13NO/c1-10-8-6-4-2-3-5-7-9-8/h2-3H,4-7H2,1H3/b3-2?,9-8+
InChIKeyKUPBYYSLZQHJJW-QGNMHXTJSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 8-methoxy-2,3,6,7-tetrahydroazocine?
The IUPAC name of 8-methoxy-2,3,6,7-tetrahydroazocine (CID 69312848) is 8-methoxy-2,3,6,7-tetrahydroazocine.
What is the SMILES notation for 8-methoxy-2,3,6,7-tetrahydroazocine?
The canonical SMILES for 8-methoxy-2,3,6,7-tetrahydroazocine is CO/C1=N/CCC=CCC1.
What is the InChIKey of 8-methoxy-2,3,6,7-tetrahydroazocine?
The InChIKey is KUPBYYSLZQHJJW-QGNMHXTJSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-6-4-2-3-5-7-9-8/h2-3H,4-7H2,1H3/b3-2?,9-8+.
What are the key properties of 8-methoxy-2,3,6,7-tetrahydroazocine?
8-methoxy-2,3,6,7-tetrahydroazocine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,6,7-tetrahydroazocine is sourced from PubChem (CID 69312848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).