N-[(E)-but-2-en-2-yl]methanimine

C5H9N — CID 143878098

IUPACN-[(E)-but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C/C
InChIInChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3/b5-4+
InChIKeyGEZZPJHXRXHJEK-SNAWJCMRSA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]methanimine

N-[(E)-but-2-en-2-yl]methanimine (PubChem CID 143878098) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]methanimine
PubChem CID143878098
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-[(E)-but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C/C
InChIInChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3/b5-4+
InChIKeyGEZZPJHXRXHJEK-SNAWJCMRSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
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 N-[(E)-but-2-en-2-yl]methanimine?
The IUPAC name of N-[(E)-but-2-en-2-yl]methanimine (CID 143878098) is N-[(E)-but-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-but-2-en-2-yl]methanimine is C=N/C(C)=C/C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]methanimine?
The InChIKey is GEZZPJHXRXHJEK-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3/b5-4+.
What are the key properties of N-[(E)-but-2-en-2-yl]methanimine?
N-[(E)-but-2-en-2-yl]methanimine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]methanimine is sourced from PubChem (CID 143878098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).