5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine

C9H11NO2 — CID 88982129

IUPAC5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine
SMILESC/N=C1\C=C=CC(OC)=C1OC
InChIInChI=1S/C9H11NO2/c1-10-7-5-4-6-8(11-2)9(7)12-3/h5-6H,1-3H3/b10-7+
InChIKeyWLJLJIACEBYBOP-JXMROGBWSA-N
MW165.19 g/mol
LogP1.29
Rot. Bonds2

About 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine

5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine (PubChem CID 88982129) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine.

Molecular Properties

Compound Name5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine
PubChem CID88982129
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine
SMILESC/N=C1\C=C=CC(OC)=C1OC
InChIInChI=1S/C9H11NO2/c1-10-7-5-4-6-8(11-2)9(7)12-3/h5-6H,1-3H3/b10-7+
InChIKeyWLJLJIACEBYBOP-JXMROGBWSA-N
XLogP1.29
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine?
The IUPAC name of 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine (CID 88982129) is 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine.
What is the SMILES notation for 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine?
The canonical SMILES for 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine is C/N=C1\C=C=CC(OC)=C1OC.
What is the InChIKey of 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine?
The InChIKey is WLJLJIACEBYBOP-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-7-5-4-6-8(11-2)9(7)12-3/h5-6H,1-3H3/b10-7+.
What are the key properties of 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine?
5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine has a molecular weight of 165.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine is sourced from PubChem (CID 88982129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).