(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine

C8H10ClN — CID 123209929

IUPAC(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C(/Cl)C=C
InChIInChI=1S/C8H10ClN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-2H2,3H3/b8-5+,10-7+
InChIKeyZWCWIAVRIKFZRU-FQOLVZPASA-N
MW155.63 g/mol
LogP2.89
Rot. Bonds3

About (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine

(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine (PubChem CID 123209929) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine
PubChem CID123209929
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C(/Cl)C=C
InChIInChI=1S/C8H10ClN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-2H2,3H3/b8-5+,10-7+
InChIKeyZWCWIAVRIKFZRU-FQOLVZPASA-N
XLogP2.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.89
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)-4-chloro-6-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 88900847
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(2Z,4E)-4-ethylidene-5-fluoro-5-methylhepta-2,6-dienimidoyl chloride
CID 137513763
1-(4-Chloro-2-fluorocyclohepta-1,3,6-trien-1-yl)ethanimine
CID 138486907
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine
CID 144524408
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
CID 174316429
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001

Frequently Asked Questions

What is the IUPAC name of (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine?
The IUPAC name of (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine (CID 123209929) is (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine.
What is the SMILES notation for (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine?
The canonical SMILES for (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C=C(/Cl)C=C.
What is the InChIKey of (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine?
The InChIKey is ZWCWIAVRIKFZRU-FQOLVZPASA-N. The full InChI is InChI=1S/C8H10ClN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-2H2,3H3/b8-5+,10-7+.
What are the key properties of (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine?
(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine has a molecular weight of 155.63 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine is sourced from PubChem (CID 123209929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).