(E)-N-but-1-en-2-ylbut-2-en-1-imine

C8H12N- — CID 123147559

IUPAC(E)-N-but-1-en-2-ylbut-2-en-1-imine
SMILESC=C([CH-]C)/N=C/C=C/C
InChIInChI=1S/C8H12N/c1-4-6-7-9-8(3)5-2/h4-7H,3H2,1-2H3/q-1/b6-4+,9-7+
InChIKeyPGKWIYAMQHHILS-ADIUVMHLSA-N
MW122.19 g/mol
LogP2.37
Rot. Bonds3

About (E)-N-but-1-en-2-ylbut-2-en-1-imine

(E)-N-but-1-en-2-ylbut-2-en-1-imine (PubChem CID 123147559) has the molecular formula C8H12N- and a molecular weight of 122.19 g/mol. Its IUPAC name is (E)-N-but-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-but-1-en-2-ylbut-2-en-1-imine
PubChem CID123147559
Molecular FormulaC8H12N-
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name(E)-N-but-1-en-2-ylbut-2-en-1-imine
SMILESC=C([CH-]C)/N=C/C=C/C
InChIInChI=1S/C8H12N/c1-4-6-7-9-8(3)5-2/h4-7H,3H2,1-2H3/q-1/b6-4+,9-7+
InChIKeyPGKWIYAMQHHILS-ADIUVMHLSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-but-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-N-but-1-en-2-ylbut-2-en-1-imine (CID 123147559) is (E)-N-but-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-but-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-N-but-1-en-2-ylbut-2-en-1-imine is C=C([CH-]C)/N=C/C=C/C.
What is the InChIKey of (E)-N-but-1-en-2-ylbut-2-en-1-imine?
The InChIKey is PGKWIYAMQHHILS-ADIUVMHLSA-N. The full InChI is InChI=1S/C8H12N/c1-4-6-7-9-8(3)5-2/h4-7H,3H2,1-2H3/q-1/b6-4+,9-7+.
What are the key properties of (E)-N-but-1-en-2-ylbut-2-en-1-imine?
(E)-N-but-1-en-2-ylbut-2-en-1-imine has a molecular weight of 122.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-but-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 123147559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).