2-methylazocine

C8H9N — CID 57078389

IUPAC2-methylazocine
SMILESCC1=CC=CC=C/C=N\1
InChIInChI=1S/C8H9N/c1-8-6-4-2-3-5-7-9-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,7-5?,8-6?,9-7-,9-8?
InChIKeyORCMKOFGYFOLIF-VUBVGXCYSA-N
MW119.17 g/mol
LogP2.09
Rot. Bonds

About 2-methylazocine

2-methylazocine (PubChem CID 57078389) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2-methylazocine.

Molecular Properties

Compound Name2-methylazocine
PubChem CID57078389
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2-methylazocine
SMILESCC1=CC=CC=C/C=N\1
InChIInChI=1S/C8H9N/c1-8-6-4-2-3-5-7-9-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,7-5?,8-6?,9-7-,9-8?
InChIKeyORCMKOFGYFOLIF-VUBVGXCYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylazocine?
The IUPAC name of 2-methylazocine (CID 57078389) is 2-methylazocine.
What is the SMILES notation for 2-methylazocine?
The canonical SMILES for 2-methylazocine is CC1=CC=CC=C/C=N\1.
What is the InChIKey of 2-methylazocine?
The InChIKey is ORCMKOFGYFOLIF-VUBVGXCYSA-N. The full InChI is InChI=1S/C8H9N/c1-8-6-4-2-3-5-7-9-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,7-5?,8-6?,9-7-,9-8?.
What are the key properties of 2-methylazocine?
2-methylazocine has a molecular weight of 119.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazocine is sourced from PubChem (CID 57078389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).