(2Z)-4-methylidenehexa-2,5-dien-1-imine

C7H9N — CID 88918500

IUPAC(2Z)-4-methylidenehexa-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)C=C
InChIInChI=1S/C7H9N/c1-3-7(2)5-4-6-8/h3-6,8H,1-2H2/b5-4-,8-6+
InChIKeyGDMYWKDXLIHUFD-GSGSLZOQSA-N
MW107.16 g/mol
LogP1.93
Rot. Bonds3

About (2Z)-4-methylidenehexa-2,5-dien-1-imine

(2Z)-4-methylidenehexa-2,5-dien-1-imine (PubChem CID 88918500) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (2Z)-4-methylidenehexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z)-4-methylidenehexa-2,5-dien-1-imine
PubChem CID88918500
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(2Z)-4-methylidenehexa-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)C=C
InChIInChI=1S/C7H9N/c1-3-7(2)5-4-6-8/h3-6,8H,1-2H2/b5-4-,8-6+
InChIKeyGDMYWKDXLIHUFD-GSGSLZOQSA-N
XLogP1.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.93
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

(Z)-pent-2-en-1-imine
CID 44820632
Azahexadiene
CID 53732655
Cyclopenta-1,4-dien-1-ylmethanimine
CID 91263645
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine
CID 143982964
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
CID 169164822
(2E)-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 173568446
(2Z,4E)-N-fluoro-3-methylhexa-2,4-dien-1-imine
CID 173962145
(5-Methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
CID 90811439

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methylidenehexa-2,5-dien-1-imine?
The IUPAC name of (2Z)-4-methylidenehexa-2,5-dien-1-imine (CID 88918500) is (2Z)-4-methylidenehexa-2,5-dien-1-imine.
What is the SMILES notation for (2Z)-4-methylidenehexa-2,5-dien-1-imine?
The canonical SMILES for (2Z)-4-methylidenehexa-2,5-dien-1-imine is [H]/N=C/C=C\C(=C)C=C.
What is the InChIKey of (2Z)-4-methylidenehexa-2,5-dien-1-imine?
The InChIKey is GDMYWKDXLIHUFD-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H9N/c1-3-7(2)5-4-6-8/h3-6,8H,1-2H2/b5-4-,8-6+.
What are the key properties of (2Z)-4-methylidenehexa-2,5-dien-1-imine?
(2Z)-4-methylidenehexa-2,5-dien-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methylidenehexa-2,5-dien-1-imine is sourced from PubChem (CID 88918500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).