N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine

C7H8ClN — CID 143671889

IUPACN-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C=C(/C=C/Cl)N=C
InChIInChI=1S/C7H8ClN/c1-3-4-7(9-2)5-6-8/h3-6H,1-2H2/b6-5+,7-4-
InChIKeyWNZNBBMUTWMUBJ-NRVNPBJCSA-N
MW141.60 g/mol
LogP2.51
Rot. Bonds3

About N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine

N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine (PubChem CID 143671889) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
PubChem CID143671889
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC NameN-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C=C(/C=C/Cl)N=C
InChIInChI=1S/C7H8ClN/c1-3-4-7(9-2)5-6-8/h3-6H,1-2H2/b6-5+,7-4-
InChIKeyWNZNBBMUTWMUBJ-NRVNPBJCSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.51
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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Related Compounds

N-hexa-1,3,5-trien-2-ylmethanimine
CID 90786608
N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-(1-chlorobut-2-en-2-yl)methanimine
CID 123620422
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimine
CID 132030906
(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine
CID 142104606
N-[(1Z,3Z)-5-chloropenta-1,3-dienyl]methanimine
CID 143340489
N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
CID 143394259
N-[(2Z)-1-chloropenta-2,4-dien-2-yl]methanimine
CID 143573593
N-[(3Z)-hexa-1,3,5-trien-3-yl]methanimine
CID 143710994
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride
CID 144860153
N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
CID 145049200
N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
CID 146505996

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine (CID 143671889) is N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine is C=C/C=C(/C=C/Cl)N=C.
What is the InChIKey of N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine?
The InChIKey is WNZNBBMUTWMUBJ-NRVNPBJCSA-N. The full InChI is InChI=1S/C7H8ClN/c1-3-4-7(9-2)5-6-8/h3-6H,1-2H2/b6-5+,7-4-.
What are the key properties of N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine?
N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine has a molecular weight of 141.60 g/mol, XLogP of 2.51, 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-chlorohexa-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 143671889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).