3-decyl-4-hydroxypyrrole-2,5-dione

C14H23NO3 — CID 54676715

IUPAC3-decyl-4-hydroxypyrrole-2,5-dione
SMILESCCCCCCCCCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)
InChIKeyLXIDJQZEXUQBGG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.99
Rot. Bonds9

About 3-decyl-4-hydroxypyrrole-2,5-dione

3-decyl-4-hydroxypyrrole-2,5-dione (PubChem CID 54676715) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-decyl-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-decyl-4-hydroxypyrrole-2,5-dione
PubChem CID54676715
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-decyl-4-hydroxypyrrole-2,5-dione
SMILESCCCCCCCCCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)
InChIKeyLXIDJQZEXUQBGG-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-decyl-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-decyl-4-hydroxypyrrole-2,5-dione (CID 54676715) is 3-decyl-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-decyl-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-decyl-4-hydroxypyrrole-2,5-dione is CCCCCCCCCCC1=C(O)C(=O)NC1=O.
What is the InChIKey of 3-decyl-4-hydroxypyrrole-2,5-dione?
The InChIKey is LXIDJQZEXUQBGG-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/h2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-decyl-4-hydroxypyrrole-2,5-dione?
3-decyl-4-hydroxypyrrole-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 54676715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).