(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine

C6H7Cl2N — CID 143657118

IUPAC(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C(Cl)\C=C\Cl
InChIInChI=1S/C6H7Cl2N/c1-9-5-3-6(8)2-4-7/h2-5H,1H3/b4-2+,6-3+,9-5+
InChIKeyOIZWSUBWFWVJDU-CSLJHPTESA-N
MW164.03 g/mol
LogP2.56
Rot. Bonds2

About (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine

(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine (PubChem CID 143657118) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine
PubChem CID143657118
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C(Cl)\C=C\Cl
InChIInChI=1S/C6H7Cl2N/c1-9-5-3-6(8)2-4-7/h2-5H,1H3/b4-2+,6-3+,9-5+
InChIKeyOIZWSUBWFWVJDU-CSLJHPTESA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine (CID 143657118) is (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine is C/N=C/C=C(Cl)\C=C\Cl.
What is the InChIKey of (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine?
The InChIKey is OIZWSUBWFWVJDU-CSLJHPTESA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-9-5-3-6(8)2-4-7/h2-5H,1H3/b4-2+,6-3+,9-5+.
What are the key properties of (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine?
(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine has a molecular weight of 164.03 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).