4-decylpyrrolidine-2,3,5-trione

C14H23NO3 — CID 11987631

IUPAC4-decylpyrrolidine-2,3,5-trione
SMILESCCCCCCCCCCC1C(=O)NC(=O)C1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h11H,2-10H2,1H3,(H,15,17,18)
InChIKeyUDFGVXIMOMXNIC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.36
Rot. Bonds9

About 4-decylpyrrolidine-2,3,5-trione

4-decylpyrrolidine-2,3,5-trione (PubChem CID 11987631) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-decylpyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name4-decylpyrrolidine-2,3,5-trione
PubChem CID11987631
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-decylpyrrolidine-2,3,5-trione
SMILESCCCCCCCCCCC1C(=O)NC(=O)C1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h11H,2-10H2,1H3,(H,15,17,18)
InChIKeyUDFGVXIMOMXNIC-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.36
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-decylpyrrolidine-2,3,5-trione?
The IUPAC name of 4-decylpyrrolidine-2,3,5-trione (CID 11987631) is 4-decylpyrrolidine-2,3,5-trione.
What is the SMILES notation for 4-decylpyrrolidine-2,3,5-trione?
The canonical SMILES for 4-decylpyrrolidine-2,3,5-trione is CCCCCCCCCCC1C(=O)NC(=O)C1=O.
What is the InChIKey of 4-decylpyrrolidine-2,3,5-trione?
The InChIKey is UDFGVXIMOMXNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h11H,2-10H2,1H3,(H,15,17,18).
What are the key properties of 4-decylpyrrolidine-2,3,5-trione?
4-decylpyrrolidine-2,3,5-trione has a molecular weight of 253.34 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decylpyrrolidine-2,3,5-trione is sourced from PubChem (CID 11987631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).