1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione

C14H16N2O5 — CID 57074307

IUPAC1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C14H16N2O5/c17-10-5-6-11(18)15(10)9-3-1-2-4-12(19)16-13(20)7-8-14(16)21/h5-8,20-21H,1-4,9H2
InChIKeyIUDZBTTYJHUXAL-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.02
Rot. Bonds6

About 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione

1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione (PubChem CID 57074307) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
PubChem CID57074307
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C14H16N2O5/c17-10-5-6-11(18)15(10)9-3-1-2-4-12(19)16-13(20)7-8-14(16)21/h5-8,20-21H,1-4,9H2
InChIKeyIUDZBTTYJHUXAL-UHFFFAOYSA-N
XLogP1.02
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.02
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) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(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
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
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)hexanoate
CID 53866411
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
7-(2,5-Dihydroxypyrrol-1-yl)heptanoic acid
CID 53964658
1-[6-(2,5-Dihydroxypyrrol-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 53964846
1-[[4-(2,5-Dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 54025835

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione (CID 57074307) is 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCC(=O)n1c(O)ccc1O.
What is the InChIKey of 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione?
The InChIKey is IUDZBTTYJHUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-10-5-6-11(18)15(10)9-3-1-2-4-12(19)16-13(20)7-8-14(16)21/h5-8,20-21H,1-4,9H2.
What are the key properties of 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione?
1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 57074307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).