1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone

C14H18N2O2 — CID 123394231

IUPAC1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone
SMILESCC=C(/C=N/CC)Oc1cc(C)nc(C(C)=O)c1
InChIInChI=1S/C14H18N2O2/c1-5-12(9-15-6-2)18-13-7-10(3)16-14(8-13)11(4)17/h5,7-9H,6H2,1-4H3/b12-5?,15-9+
InChIKeyYOOTZUATHICTJU-ZTYOEIASSA-N
MW246.31 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone

1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone (PubChem CID 123394231) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone
PubChem CID123394231
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone
SMILESCC=C(/C=N/CC)Oc1cc(C)nc(C(C)=O)c1
InChIInChI=1S/C14H18N2O2/c1-5-12(9-15-6-2)18-13-7-10(3)16-14(8-13)11(4)17/h5,7-9H,6H2,1-4H3/b12-5?,15-9+
InChIKeyYOOTZUATHICTJU-ZTYOEIASSA-N
XLogP2.97
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone 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 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone (CID 123394231) is 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone is CC=C(/C=N/CC)Oc1cc(C)nc(C(C)=O)c1.
What is the InChIKey of 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone?
The InChIKey is YOOTZUATHICTJU-ZTYOEIASSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-12(9-15-6-2)18-13-7-10(3)16-14(8-13)11(4)17/h5,7-9H,6H2,1-4H3/b12-5?,15-9+.
What are the key properties of 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone?
1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethyliminobut-2-en-2-yloxy)-6-methyl-2-pyridinyl]ethanone is sourced from PubChem (CID 123394231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).