(2,5-dihydroxypyrrol-1-yl) decanoate

C14H23NO4 — CID 54239220

IUPAC(2,5-dihydroxypyrrol-1-yl) decanoate
SMILESCCCCCCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h10-11,16-17H,2-9H2,1H3
InChIKeyQOUPHVQUTLRFIK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.00
Rot. Bonds9

About (2,5-dihydroxypyrrol-1-yl) decanoate

(2,5-dihydroxypyrrol-1-yl) decanoate (PubChem CID 54239220) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) decanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) decanoate
PubChem CID54239220
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) decanoate
SMILESCCCCCCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h10-11,16-17H,2-9H2,1H3
InChIKeyQOUPHVQUTLRFIK-UHFFFAOYSA-N
XLogP3.00
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) decanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) decanoate (CID 54239220) is (2,5-dihydroxypyrrol-1-yl) decanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) decanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) decanoate is CCCCCCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) decanoate?
The InChIKey is QOUPHVQUTLRFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h10-11,16-17H,2-9H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) decanoate?
(2,5-dihydroxypyrrol-1-yl) decanoate has a molecular weight of 269.34 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) decanoate is sourced from PubChem (CID 54239220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).