5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione

C7H6N2O3 — CID 70391449

IUPAC5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc[nH]2)O1
InChIInChI=1S/C7H6N2O3/c10-6-5(12-7(11)9-6)4-2-1-3-8-4/h1-3,5,8H,(H,9,10,11)
InChIKeySBHKZHACUNPBFA-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.32
Rot. Bonds1

About 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione

5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 70391449) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID70391449
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc[nH]2)O1
InChIInChI=1S/C7H6N2O3/c10-6-5(12-7(11)9-6)4-2-1-3-8-4/h1-3,5,8H,(H,9,10,11)
InChIKeySBHKZHACUNPBFA-UHFFFAOYSA-N
XLogP0.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione (CID 70391449) is 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2ccc[nH]2)O1.
What is the InChIKey of 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is SBHKZHACUNPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-6-5(12-7(11)9-6)4-2-1-3-8-4/h1-3,5,8H,(H,9,10,11).
What are the key properties of 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70391449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).