1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione

C10H10N2O2 — CID 79515403

IUPAC1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione
SMILESCc1ccncc1N1CC(=O)CC1=O
InChIInChI=1S/C10H10N2O2/c1-7-2-3-11-5-9(7)12-6-8(13)4-10(12)14/h2-3,5H,4,6H2,1H3
InChIKeyWZBIPCVJYKQQRL-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.70
Rot. Bonds1

About 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione

1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione (PubChem CID 79515403) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione
PubChem CID79515403
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione
SMILESCc1ccncc1N1CC(=O)CC1=O
InChIInChI=1S/C10H10N2O2/c1-7-2-3-11-5-9(7)12-6-8(13)4-10(12)14/h2-3,5H,4,6H2,1H3
InChIKeyWZBIPCVJYKQQRL-UHFFFAOYSA-N
XLogP0.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-Diethyl-1-(pyridin-3-yl)azetidine-2,4-dione
CID 44626811
1-(4-Fluorophenyl)-3-[methyl(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione
CID 2927789
N-(4-methylpyridin-3-yl)acetamide
CID 20786326
1-(Pyridin-3-yl)pyrrolidine-2,5-dione
CID 2737832
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907210
N-methyl-N-(pyridin-3-yl)acetamide
CID 2727860
1-Phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 2877164
2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156906798
N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide
CID 156907211
formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide
CID 25241634
1-[2-(1-Methylpyridin-1-ium-4-yl)ethyl]pyrrolidine-2,5-dione iodide
CID 45266321
N-(sec-butyl)-N-(pyridin-4-ylmethyl)butanamide
CID 50968595

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione (CID 79515403) is 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione is Cc1ccncc1N1CC(=O)CC1=O.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione?
The InChIKey is WZBIPCVJYKQQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-2-3-11-5-9(7)12-6-8(13)4-10(12)14/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione?
1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79515403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).