1-(1-hydroxydecyl)pyrrole-2,5-dione

C14H23NO3 — CID 118455820

IUPAC1-(1-hydroxydecyl)pyrrole-2,5-dione
SMILESCCCCCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-12(16)15-13(17)10-11-14(15)18/h10-12,16H,2-9H2,1H3
InChIKeyRNWLOTUZJFRZSH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.37
Rot. Bonds9

About 1-(1-hydroxydecyl)pyrrole-2,5-dione

1-(1-hydroxydecyl)pyrrole-2,5-dione (PubChem CID 118455820) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(1-hydroxydecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxydecyl)pyrrole-2,5-dione
PubChem CID118455820
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(1-hydroxydecyl)pyrrole-2,5-dione
SMILESCCCCCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-12(16)15-13(17)10-11-14(15)18/h10-12,16H,2-9H2,1H3
InChIKeyRNWLOTUZJFRZSH-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 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 ≤ 52.37
H-Bond Donors ≤ 51
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 1-(1-hydroxydecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxydecyl)pyrrole-2,5-dione (CID 118455820) is 1-(1-hydroxydecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxydecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxydecyl)pyrrole-2,5-dione is CCCCCCCCCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxydecyl)pyrrole-2,5-dione?
The InChIKey is RNWLOTUZJFRZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-12(16)15-13(17)10-11-14(15)18/h10-12,16H,2-9H2,1H3.
What are the key properties of 1-(1-hydroxydecyl)pyrrole-2,5-dione?
1-(1-hydroxydecyl)pyrrole-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxydecyl)pyrrole-2,5-dione is sourced from PubChem (CID 118455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).