6-chloroocta-4,6-dien-3-imine

C8H12ClN — CID 91089774

IUPAC6-chloroocta-4,6-dien-3-imine
SMILES[H]/N=C(/C=CC(Cl)=CC)CC
InChIInChI=1S/C8H12ClN/c1-3-7(9)5-6-8(10)4-2/h3,5-6,10H,4H2,1-2H3/b6-5?,7-3?,10-8+
InChIKeyRFRLJIYQGDCVOS-HCCQGVGMSA-N
MW157.64 g/mol
LogP3.11
Rot. Bonds3

About 6-chloroocta-4,6-dien-3-imine

6-chloroocta-4,6-dien-3-imine (PubChem CID 91089774) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 6-chloroocta-4,6-dien-3-imine.

Molecular Properties

Compound Name6-chloroocta-4,6-dien-3-imine
PubChem CID91089774
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name6-chloroocta-4,6-dien-3-imine
SMILES[H]/N=C(/C=CC(Cl)=CC)CC
InChIInChI=1S/C8H12ClN/c1-3-7(9)5-6-8(10)4-2/h3,5-6,10H,4H2,1-2H3/b6-5?,7-3?,10-8+
InChIKeyRFRLJIYQGDCVOS-HCCQGVGMSA-N
XLogP3.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.11
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

(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972
1-(4-Chloro-2-fluorocyclohepta-1,3,6-trien-1-yl)ethanimine
CID 138486907
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
2-Chlorocyclohexa-2,4-dien-1-imine
CID 22671008
Cyclohexa-2,4-dien-1-imine;hydrochloride
CID 66587068
6-Ethylidenecyclohexa-2,4-dien-1-imine
CID 67490002
4-Chlorocyclohexa-2,4-dien-1-imine
CID 67573397
(2-Methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
CID 87948862
(5Z)-octa-5,7-dien-2-imine
CID 88885300
(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
CID 88953849
(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 88966253
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016

Frequently Asked Questions

What is the IUPAC name of 6-chloroocta-4,6-dien-3-imine?
The IUPAC name of 6-chloroocta-4,6-dien-3-imine (CID 91089774) is 6-chloroocta-4,6-dien-3-imine.
What is the SMILES notation for 6-chloroocta-4,6-dien-3-imine?
The canonical SMILES for 6-chloroocta-4,6-dien-3-imine is [H]/N=C(/C=CC(Cl)=CC)CC.
What is the InChIKey of 6-chloroocta-4,6-dien-3-imine?
The InChIKey is RFRLJIYQGDCVOS-HCCQGVGMSA-N. The full InChI is InChI=1S/C8H12ClN/c1-3-7(9)5-6-8(10)4-2/h3,5-6,10H,4H2,1-2H3/b6-5?,7-3?,10-8+.
What are the key properties of 6-chloroocta-4,6-dien-3-imine?
6-chloroocta-4,6-dien-3-imine has a molecular weight of 157.64 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroocta-4,6-dien-3-imine is sourced from PubChem (CID 91089774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).