6-methyl-2,3-dihydroazocine

C8H11N — CID 123702190

IUPAC6-methyl-2,3-dihydroazocine
SMILESCC1=C/C=N\CCC=C1
InChIInChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h2,4-5,7H,3,6H2,1H3/b4-2?,8-5?,9-7-
InChIKeyZCCYTTRKJZTFLK-ZIYRHNOBSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds

About 6-methyl-2,3-dihydroazocine

6-methyl-2,3-dihydroazocine (PubChem CID 123702190) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 6-methyl-2,3-dihydroazocine.

Molecular Properties

Compound Name6-methyl-2,3-dihydroazocine
PubChem CID123702190
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name6-methyl-2,3-dihydroazocine
SMILESCC1=C/C=N\CCC=C1
InChIInChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h2,4-5,7H,3,6H2,1H3/b4-2?,8-5?,9-7-
InChIKeyZCCYTTRKJZTFLK-ZIYRHNOBSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydroazocine?
The IUPAC name of 6-methyl-2,3-dihydroazocine (CID 123702190) is 6-methyl-2,3-dihydroazocine.
What is the SMILES notation for 6-methyl-2,3-dihydroazocine?
The canonical SMILES for 6-methyl-2,3-dihydroazocine is CC1=C/C=N\CCC=C1.
What is the InChIKey of 6-methyl-2,3-dihydroazocine?
The InChIKey is ZCCYTTRKJZTFLK-ZIYRHNOBSA-N. The full InChI is InChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h2,4-5,7H,3,6H2,1H3/b4-2?,8-5?,9-7-.
What are the key properties of 6-methyl-2,3-dihydroazocine?
6-methyl-2,3-dihydroazocine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydroazocine is sourced from PubChem (CID 123702190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).