3-methyl-4,5-dihydroazocine

C8H11N — CID 90842059

IUPAC3-methyl-4,5-dihydroazocine
SMILESCC1=C/N=C\C=CCC1
InChIInChI=1S/C8H11N/c1-8-5-3-2-4-6-9-7-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-7?,9-6-
InChIKeyZPDPPOSDCNFFHF-YRSHROIBSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 3-methyl-4,5-dihydroazocine

3-methyl-4,5-dihydroazocine (PubChem CID 90842059) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name3-methyl-4,5-dihydroazocine
PubChem CID90842059
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-methyl-4,5-dihydroazocine
SMILESCC1=C/N=C\C=CCC1
InChIInChI=1S/C8H11N/c1-8-5-3-2-4-6-9-7-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-7?,9-6-
InChIKeyZPDPPOSDCNFFHF-YRSHROIBSA-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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Related Compounds

Benzazocine
CID 19879720
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
6-propyl-3H-azepine
CID 53671035
CID 54211489
CID 54211489
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine
CID 59876421
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2Z)-4,5-dihydroazocine
CID 69985738
4,5-Dihydroazocine
CID 69985740
N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 72660173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydroazocine?
The IUPAC name of 3-methyl-4,5-dihydroazocine (CID 90842059) is 3-methyl-4,5-dihydroazocine.
What is the SMILES notation for 3-methyl-4,5-dihydroazocine?
The canonical SMILES for 3-methyl-4,5-dihydroazocine is CC1=C/N=C\C=CCC1.
What is the InChIKey of 3-methyl-4,5-dihydroazocine?
The InChIKey is ZPDPPOSDCNFFHF-YRSHROIBSA-N. The full InChI is InChI=1S/C8H11N/c1-8-5-3-2-4-6-9-7-8/h2,4,6-7H,3,5H2,1H3/b4-2?,8-7?,9-6-.
What are the key properties of 3-methyl-4,5-dihydroazocine?
3-methyl-4,5-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 3-methyl-4,5-dihydroazocine is sourced from PubChem (CID 90842059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).