1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione

C19H26N2O5 — CID 54483826

IUPAC1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-13,25-26H,1-9,14H2
InChIKeyXQWUDKKRXWGGQT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.98
Rot. Bonds11

About 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione

1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione (PubChem CID 54483826) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
PubChem CID54483826
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-13,25-26H,1-9,14H2
InChIKeyXQWUDKKRXWGGQT-UHFFFAOYSA-N
XLogP2.98
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54541577
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
N-[13-(2,5-dihydroxypyrrol-1-yl)-12-oxotridecyl]-2,2,2-trifluoroacetamide
CID 91303808
1-[11-(2,5-Dioxopyrrol-1-yl)undecanoyl]-2,5-dihydroxypyrrole-3-sulfonic acid
CID 53640362
(2,5-Dihydroxypyrrol-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
8-(2,5-Dihydroxypyrrol-1-yl)-2-methylideneoctanoic acid
CID 53807352
1-[8-(2,5-Dihydroxypyrrol-1-yl)oxyoctyl]pyrrole-2,5-dione
CID 53838131
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 53858941
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411
(2,5-Dihydroxypyrrol-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
CID 53868014
1-[10-(Dimethylamino)decyl]pyrrole-2,5-diol
CID 53913410

Frequently Asked Questions

What is the IUPAC name of 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The IUPAC name of 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione (CID 54483826) is 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCCCC(=O)n1c(O)ccc1O.
What is the InChIKey of 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The InChIKey is XQWUDKKRXWGGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-13,25-26H,1-9,14H2.
What are the key properties of 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-(2,5-dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione is sourced from PubChem (CID 54483826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).