(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate

C19H26N2O6 — CID 54452760

IUPAC(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
SMILESO=C(CCCCCCCCCCN1C(=O)C=CC1=O)On1c(O)ccc1O
InChIInChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-13,24-25H,1-9,14H2
InChIKeyWWBZGMFJRRBGSG-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.29
Rot. Bonds12

About (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate

(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate (PubChem CID 54452760) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
PubChem CID54452760
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
SMILESO=C(CCCCCCCCCCN1C(=O)C=CC1=O)On1c(O)ccc1O
InChIInChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-13,24-25H,1-9,14H2
InChIKeyWWBZGMFJRRBGSG-UHFFFAOYSA-N
XLogP2.29
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate (CID 54452760) is (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate is O=C(CCCCCCCCCCN1C(=O)C=CC1=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The InChIKey is WWBZGMFJRRBGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-13,24-25H,1-9,14H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
(2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate has a molecular weight of 378.43 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate is sourced from PubChem (CID 54452760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).