3-hexanoylpyrrolidine-2,5-dione

C10H15NO3 — CID 67276835

IUPAC3-hexanoylpyrrolidine-2,5-dione
SMILESCCCCCC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-8(12)7-6-9(13)11-10(7)14/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyCGXWLLMOZBHPGU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds5

About 3-hexanoylpyrrolidine-2,5-dione

3-hexanoylpyrrolidine-2,5-dione (PubChem CID 67276835) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hexanoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hexanoylpyrrolidine-2,5-dione
PubChem CID67276835
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hexanoylpyrrolidine-2,5-dione
SMILESCCCCCC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-8(12)7-6-9(13)11-10(7)14/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyCGXWLLMOZBHPGU-UHFFFAOYSA-N
XLogP0.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-2-azaspiro(4.5)decane-1,3-dione
CID 43155384
3-[2-Oxo-2-(2-oxocyclohexyl)ethyl]pyrrolidine-2,5-dione
CID 359835
3-[2-[(5R)-5-methyl-2-oxocyclohexyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 386091
(5S)-3-acetyl-5-butan-2-yl-5-methylpyrrolidine-2,4-dione
CID 76319636
3-Dodecylpyrrolidine-2,5-dione
CID 13880212
4-Decylpyrrolidine-2,3,5-trione
CID 11987631
Decylsuccinimide
CID 12539697
3-Cyclohexylsuccinimide
CID 12931268
3-Butylpyrrolidine-2,5-dione
CID 14694508
Lauroyl succinimide
CID 69865962
Octahydroisoindoletrione
CID 82413940
3-[2-(5-Methyl-2-oxocyclohexyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 234480

Frequently Asked Questions

What is the IUPAC name of 3-hexanoylpyrrolidine-2,5-dione?
The IUPAC name of 3-hexanoylpyrrolidine-2,5-dione (CID 67276835) is 3-hexanoylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hexanoylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hexanoylpyrrolidine-2,5-dione is CCCCCC(=O)C1CC(=O)NC1=O.
What is the InChIKey of 3-hexanoylpyrrolidine-2,5-dione?
The InChIKey is CGXWLLMOZBHPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-8(12)7-6-9(13)11-10(7)14/h7H,2-6H2,1H3,(H,11,13,14).
What are the key properties of 3-hexanoylpyrrolidine-2,5-dione?
3-hexanoylpyrrolidine-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexanoylpyrrolidine-2,5-dione is sourced from PubChem (CID 67276835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).