8-methyl-3,4-dihydroazocine

C8H11N — CID 90690050

IUPAC8-methyl-3,4-dihydroazocine
SMILESCC1=CC=CCC/C=N\1
InChIInChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-6?,9-7-
InChIKeyCOWIJSCXTFQEIK-SEMONENSSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 8-methyl-3,4-dihydroazocine

8-methyl-3,4-dihydroazocine (PubChem CID 90690050) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 8-methyl-3,4-dihydroazocine.

Molecular Properties

Compound Name8-methyl-3,4-dihydroazocine
PubChem CID90690050
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name8-methyl-3,4-dihydroazocine
SMILESCC1=CC=CCC/C=N\1
InChIInChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-6?,9-7-
InChIKeyCOWIJSCXTFQEIK-SEMONENSSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydroazocine?
The IUPAC name of 8-methyl-3,4-dihydroazocine (CID 90690050) is 8-methyl-3,4-dihydroazocine.
What is the SMILES notation for 8-methyl-3,4-dihydroazocine?
The canonical SMILES for 8-methyl-3,4-dihydroazocine is CC1=CC=CCC/C=N\1.
What is the InChIKey of 8-methyl-3,4-dihydroazocine?
The InChIKey is COWIJSCXTFQEIK-SEMONENSSA-N. The full InChI is InChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-6?,9-7-.
What are the key properties of 8-methyl-3,4-dihydroazocine?
8-methyl-3,4-dihydroazocine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydroazocine is sourced from PubChem (CID 90690050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).