(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine

C11H12ClN — CID 167012975

IUPAC(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C\Cl)c1c(C)cccc1C
InChIInChI=1S/C11H12ClN/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,13H,1-2H3/b7-6+,13-10+
InChIKeyWANRROMKKGIYCO-FCXQYMQBSA-N
MW193.68 g/mol
LogP3.42
Rot. Bonds2

About (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine

(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine (PubChem CID 167012975) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine
PubChem CID167012975
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C\Cl)c1c(C)cccc1C
InChIInChI=1S/C11H12ClN/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,13H,1-2H3/b7-6+,13-10+
InChIKeyWANRROMKKGIYCO-FCXQYMQBSA-N
XLogP3.42
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine (CID 167012975) is (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine is [H]/N=C(\C=C\Cl)c1c(C)cccc1C.
What is the InChIKey of (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine?
The InChIKey is WANRROMKKGIYCO-FCXQYMQBSA-N. The full InChI is InChI=1S/C11H12ClN/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,13H,1-2H3/b7-6+,13-10+.
What are the key properties of (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine?
(E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine has a molecular weight of 193.68 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1-(2,6-dimethylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 167012975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).