(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine

C10H16ClN3 — CID 163386940

IUPAC(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
SMILESC/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl
InChIInChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+
InChIKeyQSMGNHFCADBSQV-AEHQAGQUSA-N
MW213.71 g/mol
LogP3.58
Rot. Bonds3

About (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine

(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine (PubChem CID 163386940) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine.

Molecular Properties

Compound Name(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
PubChem CID163386940
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
SMILESC/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl
InChIInChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+
InChIKeyQSMGNHFCADBSQV-AEHQAGQUSA-N
XLogP3.58
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The IUPAC name of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine (CID 163386940) is (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine.
What is the SMILES notation for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The canonical SMILES for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine is C/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl.
What is the InChIKey of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The InChIKey is QSMGNHFCADBSQV-AEHQAGQUSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+.
What are the key properties of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine has a molecular weight of 213.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine is sourced from PubChem (CID 163386940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).