3-decylpyrrolidine-2,5-dione

C14H25NO2 — CID 12539697

IUPAC3-decylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h12H,2-11H2,1H3,(H,15,16,17)
InChIKeyVDQRYAUCSKVORA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.18
Rot. Bonds9

About 3-decylpyrrolidine-2,5-dione

3-decylpyrrolidine-2,5-dione (PubChem CID 12539697) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-decylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-decylpyrrolidine-2,5-dione
PubChem CID12539697
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-decylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h12H,2-11H2,1H3,(H,15,16,17)
InChIKeyVDQRYAUCSKVORA-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decylpyrrolidine-2,5-dione?
The IUPAC name of 3-decylpyrrolidine-2,5-dione (CID 12539697) is 3-decylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-decylpyrrolidine-2,5-dione?
The canonical SMILES for 3-decylpyrrolidine-2,5-dione is CCCCCCCCCCC1CC(=O)NC1=O.
What is the InChIKey of 3-decylpyrrolidine-2,5-dione?
The InChIKey is VDQRYAUCSKVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h12H,2-11H2,1H3,(H,15,16,17).
What are the key properties of 3-decylpyrrolidine-2,5-dione?
3-decylpyrrolidine-2,5-dione has a molecular weight of 239.36 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylpyrrolidine-2,5-dione is sourced from PubChem (CID 12539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).