(3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine

C7H10ClN — CID 155324381

IUPAC(3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine
SMILESC=C(Cl)/C=C\C(C)=N\C
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,1H2,2-3H3/b5-4-,9-7+
InChIKeyGZTCIOUDLJHITQ-XEQCUQEESA-N
MW143.62 g/mol
LogP2.39
Rot. Bonds2

About (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine

(3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine (PubChem CID 155324381) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine
PubChem CID155324381
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine
SMILESC=C(Cl)/C=C\C(C)=N\C
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,1H2,2-3H3/b5-4-,9-7+
InChIKeyGZTCIOUDLJHITQ-XEQCUQEESA-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 (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine (CID 155324381) is (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine is C=C(Cl)/C=C\C(C)=N\C.
What is the InChIKey of (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine?
The InChIKey is GZTCIOUDLJHITQ-XEQCUQEESA-N. The full InChI is InChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5H,1H2,2-3H3/b5-4-,9-7+.
What are the key properties of (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine?
(3Z)-5-chloro-N-methylhexa-3,5-dien-2-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 (3Z)-5-chloro-N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 155324381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).