3-decanoyl-1-hydroxypyrrolidine-2,5-dione

C14H23NO4 — CID 67217450

IUPAC3-decanoyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-12(16)11-10-13(17)15(19)14(11)18/h11,19H,2-10H2,1H3
InChIKeyZHDARTHKMGJOKS-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.46
Rot. Bonds9

About 3-decanoyl-1-hydroxypyrrolidine-2,5-dione

3-decanoyl-1-hydroxypyrrolidine-2,5-dione (PubChem CID 67217450) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-decanoyl-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-decanoyl-1-hydroxypyrrolidine-2,5-dione
PubChem CID67217450
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-decanoyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-12(16)11-10-13(17)15(19)14(11)18/h11,19H,2-10H2,1H3
InChIKeyZHDARTHKMGJOKS-UHFFFAOYSA-N
XLogP2.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-decanoyl-1-hydroxypyrrolidine-2,5-dione (CID 67217450) is 3-decanoyl-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-decanoyl-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-decanoyl-1-hydroxypyrrolidine-2,5-dione is CCCCCCCCCC(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 3-decanoyl-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is ZHDARTHKMGJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-12(16)11-10-13(17)15(19)14(11)18/h11,19H,2-10H2,1H3.
What are the key properties of 3-decanoyl-1-hydroxypyrrolidine-2,5-dione?
3-decanoyl-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 67217450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).