3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione

C9H11NO5 — CID 22505871

IUPAC3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione
SMILESCC1(C2=CC(=O)NC2=O)CC(O)C(O)O1
InChIInChI=1S/C9H11NO5/c1-9(3-5(11)8(14)15-9)4-2-6(12)10-7(4)13/h2,5,8,11,14H,3H2,1H3,(H,10,12,13)
InChIKeyUSLXGAAEDVMGEW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.57
Rot. Bonds1

About 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione

3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione (PubChem CID 22505871) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione
PubChem CID22505871
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione
SMILESCC1(C2=CC(=O)NC2=O)CC(O)C(O)O1
InChIInChI=1S/C9H11NO5/c1-9(3-5(11)8(14)15-9)4-2-6(12)10-7(4)13/h2,5,8,11,14H,3H2,1H3,(H,10,12,13)
InChIKeyUSLXGAAEDVMGEW-UHFFFAOYSA-N
XLogP-1.57
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione (CID 22505871) is 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione is CC1(C2=CC(=O)NC2=O)CC(O)C(O)O1.
What is the InChIKey of 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione?
The InChIKey is USLXGAAEDVMGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-9(3-5(11)8(14)15-9)4-2-6(12)10-7(4)13/h2,5,8,11,14H,3H2,1H3,(H,10,12,13).
What are the key properties of 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione?
3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione has a molecular weight of 213.19 g/mol, XLogP of -1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroxy-2-methyloxolan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22505871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).