1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione

C12H12N2O5 — CID 54327029

IUPAC1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C12H12N2O5/c15-8-3-4-9(16)13(8)7-1-2-10(17)14-11(18)5-6-12(14)19/h3-6,18-19H,1-2,7H2
InChIKeySVRGGBWJEVNQMU-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.24
Rot. Bonds4

About 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione

1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione (PubChem CID 54327029) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione
PubChem CID54327029
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C12H12N2O5/c15-8-3-4-9(16)13(8)7-1-2-10(17)14-11(18)5-6-12(14)19/h3-6,18-19H,1-2,7H2
InChIKeySVRGGBWJEVNQMU-UHFFFAOYSA-N
XLogP0.24
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(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
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 57001223
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
3-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 53646356
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione (CID 54327029) is 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCC(=O)n1c(O)ccc1O.
What is the InChIKey of 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione?
The InChIKey is SVRGGBWJEVNQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-8-3-4-9(16)13(8)7-1-2-10(17)14-11(18)5-6-12(14)19/h3-6,18-19H,1-2,7H2.
What are the key properties of 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione?
1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione has a molecular weight of 264.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione is sourced from PubChem (CID 54327029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).