(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine

C7H10ClN — CID 155129264

IUPAC(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(Cl)\C=N\C
InChIInChI=1S/C7H10ClN/c1-3-4-5-7(8)6-9-2/h3-6H,1-2H3/b4-3+,7-5+,9-6+
InChIKeyZIKQRXWAZPYFQZ-RWZKFJQPSA-N
MW143.62 g/mol
LogP2.39
Rot. Bonds2

About (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine

(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine (PubChem CID 155129264) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine
PubChem CID155129264
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(Cl)\C=N\C
InChIInChI=1S/C7H10ClN/c1-3-4-5-7(8)6-9-2/h3-6H,1-2H3/b4-3+,7-5+,9-6+
InChIKeyZIKQRXWAZPYFQZ-RWZKFJQPSA-N
XLogP2.39
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 ≤ 52.39
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 (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine (CID 155129264) is (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine is C/C=C/C=C(Cl)\C=N\C.
What is the InChIKey of (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine?
The InChIKey is ZIKQRXWAZPYFQZ-RWZKFJQPSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-4-5-7(8)6-9-2/h3-6H,1-2H3/b4-3+,7-5+,9-6+.
What are the key properties of (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine?
(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine has a molecular weight of 143.62 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 155129264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).