3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione

C8H7NO5 — CID 91230103

IUPAC3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione
SMILESO=C1CC(n2c(O)ccc2O)C(=O)O1
InChIInChI=1S/C8H7NO5/c10-5-1-2-6(11)9(5)4-3-7(12)14-8(4)13/h1-2,4,10-11H,3H2
InChIKeyUTJDLSPWWXHZSW-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.09
Rot. Bonds1

About 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione

3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione (PubChem CID 91230103) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione
PubChem CID91230103
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione
SMILESO=C1CC(n2c(O)ccc2O)C(=O)O1
InChIInChI=1S/C8H7NO5/c10-5-1-2-6(11)9(5)4-3-7(12)14-8(4)13/h1-2,4,10-11H,3H2
InChIKeyUTJDLSPWWXHZSW-UHFFFAOYSA-N
XLogP-0.09
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
4-[2-[3-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)propanoyl]oxyethoxy]-3-(2,5-dihydroxypyrrol-1-yl)-4-oxobutanoic acid
CID 53924939
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
4-[2-[3-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)propanoyl]oxycyclobutyl]oxy-3-(2,5-dihydroxypyrrol-1-yl)-4-oxobutanoic acid
CID 54193058
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797
2-(2,5-Dihydroxypyrrol-1-yl)acetic acid
CID 53683313
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-3-hydroxypropanoic acid
CID 53729060
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
Tert-butyl 2-(2,5-dihydroxypyrrol-1-yl)acetate
CID 53877464
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-4-hydroxybutanoic acid
CID 53877717

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione (CID 91230103) is 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione is O=C1CC(n2c(O)ccc2O)C(=O)O1.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione?
The InChIKey is UTJDLSPWWXHZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-5-1-2-6(11)9(5)4-3-7(12)14-8(4)13/h1-2,4,10-11H,3H2.
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione?
3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione has a molecular weight of 197.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)oxolane-2,5-dione is sourced from PubChem (CID 91230103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).