(3Z)-5-chlorohexa-3,5-dien-2-imine

C6H8ClN — CID 123525810

IUPAC(3Z)-5-chlorohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+
InChIKeyLSXFOGWYIKGTIN-OONGGIDMSA-N
MW129.59 g/mol
LogP2.33
Rot. Bonds2

About (3Z)-5-chlorohexa-3,5-dien-2-imine

(3Z)-5-chlorohexa-3,5-dien-2-imine (PubChem CID 123525810) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is (3Z)-5-chlorohexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-chlorohexa-3,5-dien-2-imine
PubChem CID123525810
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name(3Z)-5-chlorohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+
InChIKeyLSXFOGWYIKGTIN-OONGGIDMSA-N
XLogP2.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(3E,5Z)-4-fluorohepta-3,5-dien-2-imine
CID 156164320
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001
Cyclohepta-2,4,6-trien-1-ylideneazanium
CID 57062609
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Chlorocyclohexa-2,4-dien-1-imine
CID 67573397
4-Iminopent-2-enimidoyl chloride
CID 76800601
(3Z)-5-methylhexa-3,5-dien-2-imine
CID 89017448
(Z)-[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]hydrazine
CID 89277218
(3Z,5Z)-hepta-3,5-dien-2-imine
CID 89583261
(Z)-pent-3-en-2-imine
CID 90707502
(3Z)-hexa-3,5-dien-2-imine
CID 90711879

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chlorohexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-chlorohexa-3,5-dien-2-imine (CID 123525810) is (3Z)-5-chlorohexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-chlorohexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-chlorohexa-3,5-dien-2-imine is [H]/N=C(C)/C=C\C(=C)Cl.
What is the InChIKey of (3Z)-5-chlorohexa-3,5-dien-2-imine?
The InChIKey is LSXFOGWYIKGTIN-OONGGIDMSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+.
What are the key properties of (3Z)-5-chlorohexa-3,5-dien-2-imine?
(3Z)-5-chlorohexa-3,5-dien-2-imine has a molecular weight of 129.59 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chlorohexa-3,5-dien-2-imine is sourced from PubChem (CID 123525810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).