acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one

C10H15NO2 — CID 91357447

IUPACacetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one
SMILESCC=O.CCc1c[nH]cc(C)c1=O
InChIInChI=1S/C8H11NO.C2H4O/c1-3-7-5-9-4-6(2)8(7)10;1-2-3/h4-5H,3H2,1-2H3,(H,9,10);2H,1H3
InChIKeyATNVUGLWPNMBLO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.45
Rot. Bonds1

About acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one

acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one (PubChem CID 91357447) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Nameacetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one
PubChem CID91357447
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameacetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one
SMILESCC=O.CCc1c[nH]cc(C)c1=O
InChIInChI=1S/C8H11NO.C2H4O/c1-3-7-5-9-4-6(2)8(7)10;1-2-3/h4-5H,3H2,1-2H3,(H,9,10);2H,1H3
InChIKeyATNVUGLWPNMBLO-UHFFFAOYSA-N
XLogP1.45
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

4-Methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
CID 12502198
1,4-Dihydro-5-methyl-4-oxo-3-pyridinecarboxaldehyde
CID 13197989
1,4-Dihydropyridine-3,5-dicarbaldehyde
CID 22924861
2-Methylaminomethylenecyclohexanone
CID 76175077
4-(4-oxo-1H-pyridin-3-yl)butanal
CID 90721491
5-Fluoro-4-hydroxynicotinaldehyde
CID 125125762
2-[1-Methylamino-meth-(Z)-ylidene]-cyclohexanone
CID 55206953
3,5-diethyl-1H-pyridin-4-one
CID 19019567
3-ethyl-5-methyl-1H-pyridin-4-one
CID 58938685
3,5-dimethyl-1H-pyridin-4-one;ethane
CID 144709823
(2E)-2-(aminomethylidene)-3-methylidene-4-oxohexanal
CID 145410977
ethane;(Z)-2-methyl-1-(methylamino)hex-1-en-3-one
CID 145510612

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one?
The IUPAC name of acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one (CID 91357447) is acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one?
The canonical SMILES for acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one is CC=O.CCc1c[nH]cc(C)c1=O.
What is the InChIKey of acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one?
The InChIKey is ATNVUGLWPNMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H4O/c1-3-7-5-9-4-6(2)8(7)10;1-2-3/h4-5H,3H2,1-2H3,(H,9,10);2H,1H3.
What are the key properties of acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one?
acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 91357447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).