(Z)-4-ethyliminobut-2-enal

C6H9NO — CID 173047639

IUPAC(Z)-4-ethyliminobut-2-enal
SMILESCC/N=C/C=C\C=O
InChIInChI=1S/C6H9NO/c1-2-7-5-3-4-6-8/h3-6H,2H2,1H3/b4-3-,7-5+
InChIKeyYHOWJPBXFLPPEZ-QVXLNCAUSA-N
MW111.14 g/mol
LogP0.83
Rot. Bonds3

About (Z)-4-ethyliminobut-2-enal

(Z)-4-ethyliminobut-2-enal (PubChem CID 173047639) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-4-ethyliminobut-2-enal.

Molecular Properties

Compound Name(Z)-4-ethyliminobut-2-enal
PubChem CID173047639
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-4-ethyliminobut-2-enal
SMILESCC/N=C/C=C\C=O
InChIInChI=1S/C6H9NO/c1-2-7-5-3-4-6-8/h3-6H,2H2,1H3/b4-3-,7-5+
InChIKeyYHOWJPBXFLPPEZ-QVXLNCAUSA-N
XLogP0.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-ethyliminobut-2-enal 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 (Z)-4-ethyliminobut-2-enal?
The IUPAC name of (Z)-4-ethyliminobut-2-enal (CID 173047639) is (Z)-4-ethyliminobut-2-enal.
What is the SMILES notation for (Z)-4-ethyliminobut-2-enal?
The canonical SMILES for (Z)-4-ethyliminobut-2-enal is CC/N=C/C=C\C=O.
What is the InChIKey of (Z)-4-ethyliminobut-2-enal?
The InChIKey is YHOWJPBXFLPPEZ-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-7-5-3-4-6-8/h3-6H,2H2,1H3/b4-3-,7-5+.
What are the key properties of (Z)-4-ethyliminobut-2-enal?
(Z)-4-ethyliminobut-2-enal has a molecular weight of 111.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyliminobut-2-enal is sourced from PubChem (CID 173047639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).