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

C6H8ClN — CID 131967116

IUPACN-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C/C
InChIInChI=1S/C6H8ClN/c1-3-4-5-6(7)8-2/h3-5H,2H2,1H3/b4-3-,6-5-
InChIKeySMKFFHWWLSGTKC-OUPQRBNQSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

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

N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine (PubChem CID 131967116) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
PubChem CID131967116
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C/C
InChIInChI=1S/C6H8ClN/c1-3-4-5-6(7)8-2/h3-5H,2H2,1H3/b4-3-,6-5-
InChIKeySMKFFHWWLSGTKC-OUPQRBNQSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine (CID 131967116) is N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine is C=N/C(Cl)=C\C=C/C.
What is the InChIKey of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine?
The InChIKey is SMKFFHWWLSGTKC-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-4-5-6(7)8-2/h3-5H,2H2,1H3/b4-3-,6-5-.
What are the key properties of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine is sourced from PubChem (CID 131967116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).