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

C6H8ClN — CID 143340489

IUPACN-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/CCl
InChIInChI=1S/C6H8ClN/c1-8-6-4-2-3-5-7/h2-4,6H,1,5H2/b3-2-,6-4-
InChIKeyGXFZEPQZDAGIRQ-BXAWZMCCSA-N
MW129.59 g/mol
LogP2.00
Rot. Bonds3

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

N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine (PubChem CID 143340489) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
PubChem CID143340489
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/CCl
InChIInChI=1S/C6H8ClN/c1-8-6-4-2-3-5-7/h2-4,6H,1,5H2/b3-2-,6-4-
InChIKeyGXFZEPQZDAGIRQ-BXAWZMCCSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.00
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloroprop-1-enyl)methanimine
CID 90243216
N-(3-chlorobuta-1,3-dienyl)methanimine
CID 90811067
N-(2-chloropenta-1,3-dienyl)methanimine
CID 91239455
N-[(1Z,3E)-4-chlorobuta-1,3-dienyl]methanimine
CID 118048879
N-hexa-1,3,5-trienylmethanimine
CID 123513793
N-[(1Z,3E)-3-(chloromethyl)penta-1,3-dienyl]methanimine
CID 126548775
N-[(1Z)-buta-1,3-dienyl]methanimidoyl chloride
CID 130343086
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(1Z,3E)-3-chloropenta-1,3-dienyl]methanimine
CID 138623357
N-[(1Z,3E)-4-chloropenta-1,3-dienyl]methanimine
CID 139565221
N-[(1Z)-3-chlorobuta-1,3-dienyl]methanimine;ethane
CID 143262904
N-[(1Z)-3-chlorobuta-1,3-dienyl]methanimine
CID 143262905

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine (CID 143340489) is N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine is C=N/C=C\C=C/CCl.
What is the InChIKey of N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine?
The InChIKey is GXFZEPQZDAGIRQ-BXAWZMCCSA-N. The full InChI is InChI=1S/C6H8ClN/c1-8-6-4-2-3-5-7/h2-4,6H,1,5H2/b3-2-,6-4-.
What are the key properties of N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine has a molecular weight of 129.59 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine is sourced from PubChem (CID 143340489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).