(E)-2-prop-1-en-2-ylbut-2-en-1-imine

C7H11N — CID 90933098

IUPAC(E)-2-prop-1-en-2-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C/C)C(=C)C
InChIInChI=1S/C7H11N/c1-4-7(5-8)6(2)3/h4-5,8H,2H2,1,3H3/b7-4-,8-5+
InChIKeyFXUTZNRWKKBUAN-DKBJKEKUSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds2

About (E)-2-prop-1-en-2-ylbut-2-en-1-imine

(E)-2-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 90933098) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (E)-2-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID90933098
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(E)-2-prop-1-en-2-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C/C)C(=C)C
InChIInChI=1S/C7H11N/c1-4-7(5-8)6(2)3/h4-5,8H,2H2,1,3H3/b7-4-,8-5+
InChIKeyFXUTZNRWKKBUAN-DKBJKEKUSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-2-prop-1-en-2-ylbut-2-en-1-imine (CID 90933098) is (E)-2-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-2-prop-1-en-2-ylbut-2-en-1-imine is [H]/N=C/C(=C/C)C(=C)C.
What is the InChIKey of (E)-2-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is FXUTZNRWKKBUAN-DKBJKEKUSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(5-8)6(2)3/h4-5,8H,2H2,1,3H3/b7-4-,8-5+.
What are the key properties of (E)-2-prop-1-en-2-ylbut-2-en-1-imine?
(E)-2-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 90933098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).