(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine

C8H11N — CID 156799789

IUPAC(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C\C=C/C
InChIInChI=1S/C8H11N/c1-3-5-6-8(4-2)7-9/h3-7,9H,2H2,1H3/b5-3-,8-6-,9-7+
InChIKeyFPDCJHFKAWRLPQ-HLWRZVAVSA-N
MW121.18 g/mol
LogP2.32
Rot. Bonds3

About (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine

(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine (PubChem CID 156799789) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
PubChem CID156799789
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C\C=C/C
InChIInChI=1S/C8H11N/c1-3-5-6-8(4-2)7-9/h3-7,9H,2H2,1H3/b5-3-,8-6-,9-7+
InChIKeyFPDCJHFKAWRLPQ-HLWRZVAVSA-N
XLogP2.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.32
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

ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
CID 143926212
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine (CID 156799789) is (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine is [H]/N=C/C(C=C)=C\C=C/C.
What is the InChIKey of (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine?
The InChIKey is FPDCJHFKAWRLPQ-HLWRZVAVSA-N. The full InChI is InChI=1S/C8H11N/c1-3-5-6-8(4-2)7-9/h3-7,9H,2H2,1H3/b5-3-,8-6-,9-7+.
What are the key properties of (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine?
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine is sourced from PubChem (CID 156799789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).