(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine

C9H13NO — CID 134286835

IUPAC(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C/C=C\C)C(=C)OC
InChIInChI=1S/C9H13NO/c1-4-5-6-9(7-10)8(2)11-3/h4-7,10H,2H2,1,3H3/b5-4-,9-6-,10-7+
InChIKeyCIUSOZZCXRFQHM-NZPKQRPTSA-N
MW151.21 g/mol
LogP2.30
Rot. Bonds4

About (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine

(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine (PubChem CID 134286835) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
PubChem CID134286835
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C/C=C\C)C(=C)OC
InChIInChI=1S/C9H13NO/c1-4-5-6-9(7-10)8(2)11-3/h4-7,10H,2H2,1,3H3/b5-4-,9-6-,10-7+
InChIKeyCIUSOZZCXRFQHM-NZPKQRPTSA-N
XLogP2.30
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine
CID 89397914
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
CID 145036953
N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
CID 89467841
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine (CID 134286835) is (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine is [H]/N=C/C(=C/C=C\C)C(=C)OC.
What is the InChIKey of (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine?
The InChIKey is CIUSOZZCXRFQHM-NZPKQRPTSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-6-9(7-10)8(2)11-3/h4-7,10H,2H2,1,3H3/b5-4-,9-6-,10-7+.
What are the key properties of (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine?
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine has a molecular weight of 151.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 134286835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).