3-methylazocine

C8H9N — CID 69402086

IUPAC3-methylazocine
SMILESCC1=CC=CC=C/N=C\1
InChIInChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,8-5?,8-7?,9-6?,9-7-
InChIKeyBOKFVDAFURAZGL-XXVVGPHPSA-N
MW119.17 g/mol
LogP2.09
Rot. Bonds

About 3-methylazocine

3-methylazocine (PubChem CID 69402086) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3-methylazocine.

Molecular Properties

Compound Name3-methylazocine
PubChem CID69402086
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3-methylazocine
SMILESCC1=CC=CC=C/N=C\1
InChIInChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,8-5?,8-7?,9-6?,9-7-
InChIKeyBOKFVDAFURAZGL-XXVVGPHPSA-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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Related Compounds

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3-methyl-4H-pyridin-4-ide;bis(yttrium)
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3-methyl-4H-pyridin-4-ide;yttrium
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3-(deuteriomethyl)-4H-pyridin-4-ide;vanadium
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CID 88228740
(Z)-N-ethenyl-2-methylbut-2-en-1-imine
CID 88853925
2-methyl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 88885972
(Z)-2-ethenyl-N-prop-1-en-2-ylbut-2-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of 3-methylazocine?
The IUPAC name of 3-methylazocine (CID 69402086) is 3-methylazocine.
What is the SMILES notation for 3-methylazocine?
The canonical SMILES for 3-methylazocine is CC1=CC=CC=C/N=C\1.
What is the InChIKey of 3-methylazocine?
The InChIKey is BOKFVDAFURAZGL-XXVVGPHPSA-N. The full InChI is InChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h2-7H,1H3/b3-2?,4-2?,5-3?,6-4?,8-5?,8-7?,9-6?,9-7-.
What are the key properties of 3-methylazocine?
3-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 3-methylazocine is sourced from PubChem (CID 69402086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).