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

C6H11N — CID 18719779

IUPACN-[(E)-but-2-en-2-yl]ethanimine
SMILESC/C=C(\C)/N=CC
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4+,7-5?
InChIKeyNLSCTGPMQPJAJD-NNUXYFOWSA-N
MW97.16 g/mol
LogP1.10
Rot. Bonds1

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

N-[(E)-but-2-en-2-yl]ethanimine (PubChem CID 18719779) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]ethanimine
PubChem CID18719779
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(E)-but-2-en-2-yl]ethanimine
SMILESC/C=C(\C)/N=CC
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4+,7-5?
InChIKeyNLSCTGPMQPJAJD-NNUXYFOWSA-N
XLogP1.10
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-en-2-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-but-2-en-2-yl]ethanimine (CID 18719779) is N-[(E)-but-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-but-2-en-2-yl]ethanimine is C/C=C(\C)/N=CC.
What is the InChIKey of N-[(E)-but-2-en-2-yl]ethanimine?
The InChIKey is NLSCTGPMQPJAJD-NNUXYFOWSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4+,7-5?.
What are the key properties of N-[(E)-but-2-en-2-yl]ethanimine?
N-[(E)-but-2-en-2-yl]ethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.10, 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]ethanimine is sourced from PubChem (CID 18719779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).