N-but-2-enylmethanimine

C5H9N — CID 73458370

IUPACN-but-2-enylmethanimine
SMILESC=NCC=CC
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-4H,2,5H2,1H3
InChIKeyWRBQEELOEYIBTJ-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.26
Rot. Bonds2

About N-but-2-enylmethanimine

N-but-2-enylmethanimine (PubChem CID 73458370) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-but-2-enylmethanimine.

Molecular Properties

Compound NameN-but-2-enylmethanimine
PubChem CID73458370
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-but-2-enylmethanimine
SMILESC=NCC=CC
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-4H,2,5H2,1H3
InChIKeyWRBQEELOEYIBTJ-UHFFFAOYSA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enylmethanimine?
The IUPAC name of N-but-2-enylmethanimine (CID 73458370) is N-but-2-enylmethanimine.
What is the SMILES notation for N-but-2-enylmethanimine?
The canonical SMILES for N-but-2-enylmethanimine is C=NCC=CC.
What is the InChIKey of N-but-2-enylmethanimine?
The InChIKey is WRBQEELOEYIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-3-4-5-6-2/h3-4H,2,5H2,1H3.
What are the key properties of N-but-2-enylmethanimine?
N-but-2-enylmethanimine has a molecular weight of 83.13 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enylmethanimine is sourced from PubChem (CID 73458370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).