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

C14H16N2O5 — CID 91033587

IUPAC1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione
SMILESO=C(CCCCN1C(=O)C=CC1=O)Cn1c(O)ccc1O
InChIInChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-7,20-21H,1-3,8-9H2
InChIKeyWYMKQUMCRWHDOH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.56
Rot. Bonds7

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

1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione (PubChem CID 91033587) 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)-5-oxohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione
PubChem CID91033587
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione
SMILESO=C(CCCCN1C(=O)C=CC1=O)Cn1c(O)ccc1O
InChIInChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-7,20-21H,1-3,8-9H2
InChIKeyWYMKQUMCRWHDOH-UHFFFAOYSA-N
XLogP0.56
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.56
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)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-(2,5-Dihydroxypyrrol-1-yl)hexane-2,5-dione
CID 53664471
1-(2,5-Dihydroxypyrrol-1-yl)-3-methylhexane-2,5-dione
CID 53780640
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
1-[6-(2,5-Dihydroxypyrrol-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 53964846
2-(2,5-Dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 53967311
1-[[4-(2,5-Dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 54025835
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
CID 54249191

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione (CID 91033587) is 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione is O=C(CCCCN1C(=O)C=CC1=O)Cn1c(O)ccc1O.
What is the InChIKey of 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
The InChIKey is WYMKQUMCRWHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-7,20-21H,1-3,8-9H2.
What are the key properties of 1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
1-[6-(2,5-dihydroxypyrrol-1-yl)-5-oxohexyl]pyrrole-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of 0.56, 7 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)-5-oxohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 91033587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).