(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine

C11H14ClNO2 — CID 155136201

IUPAC(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=C(OC)C(OC)=C\C1=C(\C)Cl
InChIInChI=1S/C11H14ClNO2/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3/b8-7+,13-9+
InChIKeyDJEBRJXOXGHFDF-NJHPPEEMSA-N
MW227.69 g/mol
LogP2.64
Rot. Bonds2

About (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine

(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 155136201) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID155136201
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=C(OC)C(OC)=C\C1=C(\C)Cl
InChIInChI=1S/C11H14ClNO2/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3/b8-7+,13-9+
InChIKeyDJEBRJXOXGHFDF-NJHPPEEMSA-N
XLogP2.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.64
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 (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine (CID 155136201) is (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine is C/N=C1\C=C(OC)C(OC)=C\C1=C(\C)Cl.
What is the InChIKey of (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is DJEBRJXOXGHFDF-NJHPPEEMSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3/b8-7+,13-9+.
What are the key properties of (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine?
(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 227.69 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 155136201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).