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

C4H7N — CID 14143524

IUPAC(E)-but-2-en-1-imine
SMILES[H]/N=C/C=C/C
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2+,5-4+
InChIKeyZWPLVWWFBADGOR-MQQKCMAXSA-N
MW69.11 g/mol
LogP1.21
Rot. Bonds1

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

(E)-but-2-en-1-imine (PubChem CID 14143524) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is (E)-but-2-en-1-imine.

Molecular Properties

Compound Name(E)-but-2-en-1-imine
PubChem CID14143524
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC Name(E)-but-2-en-1-imine
SMILES[H]/N=C/C=C/C
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2+,5-4+
InChIKeyZWPLVWWFBADGOR-MQQKCMAXSA-N
XLogP1.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
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)-but-2-en-1-imine?
The IUPAC name of (E)-but-2-en-1-imine (CID 14143524) is (E)-but-2-en-1-imine.
What is the SMILES notation for (E)-but-2-en-1-imine?
The canonical SMILES for (E)-but-2-en-1-imine is [H]/N=C/C=C/C.
What is the InChIKey of (E)-but-2-en-1-imine?
The InChIKey is ZWPLVWWFBADGOR-MQQKCMAXSA-N. The full InChI is InChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2+,5-4+.
What are the key properties of (E)-but-2-en-1-imine?
(E)-but-2-en-1-imine has a molecular weight of 69.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-en-1-imine is sourced from PubChem (CID 14143524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).