(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine

C15H20ClN — CID 129120179

IUPAC(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine
SMILES[H]/N=C(C(\C)=C(/C)C1CC1)/C1C(Cl)=CC=CC1C
InChIInChI=1S/C15H20ClN/c1-9-5-4-6-13(16)14(9)15(17)11(3)10(2)12-7-8-12/h4-6,9,12,14,17H,7-8H2,1-3H3/b11-10+,17-15+
InChIKeyRZCJMJYVIZPPHC-FQBHYKLYSA-N
MW249.79 g/mol
LogP4.70
Rot. Bonds3

About (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine

(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine (PubChem CID 129120179) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine
PubChem CID129120179
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine
SMILES[H]/N=C(C(\C)=C(/C)C1CC1)/C1C(Cl)=CC=CC1C
InChIInChI=1S/C15H20ClN/c1-9-5-4-6-13(16)14(9)15(17)11(3)10(2)12-7-8-12/h4-6,9,12,14,17H,7-8H2,1-3H3/b11-10+,17-15+
InChIKeyRZCJMJYVIZPPHC-FQBHYKLYSA-N
XLogP4.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 54.70
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)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine?
The IUPAC name of (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine (CID 129120179) is (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine?
The canonical SMILES for (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine is [H]/N=C(C(\C)=C(/C)C1CC1)/C1C(Cl)=CC=CC1C.
What is the InChIKey of (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine?
The InChIKey is RZCJMJYVIZPPHC-FQBHYKLYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-9-5-4-6-13(16)14(9)15(17)11(3)10(2)12-7-8-12/h4-6,9,12,14,17H,7-8H2,1-3H3/b11-10+,17-15+.
What are the key properties of (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine?
(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine has a molecular weight of 249.79 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine is sourced from PubChem (CID 129120179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).