(E)-N-methylbut-2-en-1-imine

C5H9N — CID 12475950

IUPAC(E)-N-methylbut-2-en-1-imine
SMILESC/C=C/C=NC
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+,6-5?
InChIKeyJRZQPZUNBMWNGL-WAVJCGAHSA-N
MW83.13 g/mol
LogP0.70
Rot. Bonds1

About (E)-N-methylbut-2-en-1-imine

(E)-N-methylbut-2-en-1-imine (PubChem CID 12475950) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (E)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methylbut-2-en-1-imine
PubChem CID12475950
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(E)-N-methylbut-2-en-1-imine
SMILESC/C=C/C=NC
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+,6-5?
InChIKeyJRZQPZUNBMWNGL-WAVJCGAHSA-N
XLogP0.70
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity62

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylbut-2-en-1-imine?
The IUPAC name of (E)-N-methylbut-2-en-1-imine (CID 12475950) is (E)-N-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-methylbut-2-en-1-imine?
The canonical SMILES for (E)-N-methylbut-2-en-1-imine is C/C=C/C=NC.
What is the InChIKey of (E)-N-methylbut-2-en-1-imine?
The InChIKey is JRZQPZUNBMWNGL-WAVJCGAHSA-N. The full InChI is InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+,6-5?.
What are the key properties of (E)-N-methylbut-2-en-1-imine?
(E)-N-methylbut-2-en-1-imine has a molecular weight of 83.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 12475950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).