(4E)-4-methoxyhexa-1,4-dien-3-imine

C7H11NO — CID 123850512

IUPAC(4E)-4-methoxyhexa-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C(=C\C)OC
InChIInChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5,8H,1H2,2-3H3/b7-5+,8-6+
InChIKeyBWFRHFYQOJIIJH-KQQUZDAGSA-N
MW125.17 g/mol
LogP1.74
Rot. Bonds3

About (4E)-4-methoxyhexa-1,4-dien-3-imine

(4E)-4-methoxyhexa-1,4-dien-3-imine (PubChem CID 123850512) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4E)-4-methoxyhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-methoxyhexa-1,4-dien-3-imine
PubChem CID123850512
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4E)-4-methoxyhexa-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C(=C\C)OC
InChIInChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5,8H,1H2,2-3H3/b7-5+,8-6+
InChIKeyBWFRHFYQOJIIJH-KQQUZDAGSA-N
XLogP1.74
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.74
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'}

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Related Compounds

2-Methoxycyclohepta-2,4,6-trien-1-imine
CID 10986283
(Z)-4-methoxypent-3-en-2-imine
CID 12462133
2,5-Dimethoxy benzoquinone diimine
CID 53963286
2,6-Dimethoxycyclohexa-2,5-diene-1,4-diimine
CID 54361792
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-4-methoxyhex-3-en-2-imine
CID 123377670
(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine
CID 123487270
2-Methoxycyclohexa-2,5-dien-1-imine
CID 143182689
(3E)-3-ethenoxyocta-3,7-dien-2-imine
CID 165128699

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methoxyhexa-1,4-dien-3-imine?
The IUPAC name of (4E)-4-methoxyhexa-1,4-dien-3-imine (CID 123850512) is (4E)-4-methoxyhexa-1,4-dien-3-imine.
What is the SMILES notation for (4E)-4-methoxyhexa-1,4-dien-3-imine?
The canonical SMILES for (4E)-4-methoxyhexa-1,4-dien-3-imine is [H]/N=C(C=C)/C(=C\C)OC.
What is the InChIKey of (4E)-4-methoxyhexa-1,4-dien-3-imine?
The InChIKey is BWFRHFYQOJIIJH-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5,8H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of (4E)-4-methoxyhexa-1,4-dien-3-imine?
(4E)-4-methoxyhexa-1,4-dien-3-imine has a molecular weight of 125.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methoxyhexa-1,4-dien-3-imine is sourced from PubChem (CID 123850512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).