(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine

C8H11N — CID 143548384

IUPAC(2E,3Z)-2-ethylidenehexa-3,5-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,1H2,2H3/b6-5-,8-4+,9-7+
InChIKeyWBFLNCQQWCFCHZ-JIDSLHQUSA-N
MW121.18 g/mol
LogP2.32
Rot. Bonds3

About (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine

(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine (PubChem CID 143548384) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
PubChem CID143548384
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2E,3Z)-2-ethylidenehexa-3,5-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,1H2,2H3/b6-5-,8-4+,9-7+
InChIKeyWBFLNCQQWCFCHZ-JIDSLHQUSA-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

(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
CID 143482492
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
CID 145486678
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
penta-2,4-dienimidamide
CID 141285400

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine?
The IUPAC name of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine (CID 143548384) is (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine.
What is the SMILES notation for (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine?
The canonical SMILES for (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine is [H]/N=C/C(/C=C\C=C)=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine?
The InChIKey is WBFLNCQQWCFCHZ-JIDSLHQUSA-N. The full InChI is InChI=1S/C8H11N/c1-3-5-6-8(4-2)7-9/h3-7,9H,1H2,2H3/b6-5-,8-4+,9-7+.
What are the key properties of (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine?
(2E,3Z)-2-ethylidenehexa-3,5-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 (2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine is sourced from PubChem (CID 143548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).