N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine

C7H10ClN — CID 146505996

IUPACN-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-
InChIKeyRLCHXSQVRHKGAA-GUBXDBFYSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine (PubChem CID 146505996) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
PubChem CID146505996
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-
InChIKeyRLCHXSQVRHKGAA-GUBXDBFYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
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 N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine (CID 146505996) is N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C=C(/C)Cl.
What is the InChIKey of N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine?
The InChIKey is RLCHXSQVRHKGAA-GUBXDBFYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-.
What are the key properties of N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 146505996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).