N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine

C6H7Cl2N — CID 163736721

IUPACN-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C/CCl
InChIInChI=1S/C6H7Cl2N/c1-9-6(8)4-2-3-5-7/h2-4H,1,5H2/b3-2-,6-4-
InChIKeyLEGBUBZTNNRYAX-BXAWZMCCSA-N
MW164.03 g/mol
LogP2.56
Rot. Bonds3

About N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine

N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine (PubChem CID 163736721) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine
PubChem CID163736721
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC NameN-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C/CCl
InChIInChI=1S/C6H7Cl2N/c1-9-6(8)4-2-3-5-7/h2-4H,1,5H2/b3-2-,6-4-
InChIKeyLEGBUBZTNNRYAX-BXAWZMCCSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-4-chlorobuta-1,3-dienyl]methanimine
CID 118048879
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
CID 143340489
N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
CID 143573593
N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
CID 143671889

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine (CID 163736721) is N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine is C=N/C(Cl)=C\C=C/CCl.
What is the InChIKey of N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine?
The InChIKey is LEGBUBZTNNRYAX-BXAWZMCCSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-9-6(8)4-2-3-5-7/h2-4H,1,5H2/b3-2-,6-4-.
What are the key properties of N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine has a molecular weight of 164.03 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1,5-dichloropenta-1,3-dienyl]methanimine is sourced from PubChem (CID 163736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).