5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one

C8H8N2O2 — CID 137069232

IUPAC5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one
SMILESO=C1CCN=C1c1[nH]ccc1O
InChIInChI=1S/C8H8N2O2/c11-5-1-3-9-7(5)8-6(12)2-4-10-8/h1,3,9,11H,2,4H2
InChIKeyFCURNSRWEINVNB-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.48
Rot. Bonds1

About 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one

5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one (PubChem CID 137069232) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one.

Molecular Properties

Compound Name5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one
PubChem CID137069232
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one
SMILESO=C1CCN=C1c1[nH]ccc1O
InChIInChI=1S/C8H8N2O2/c11-5-1-3-9-7(5)8-6(12)2-4-10-8/h1,3,9,11H,2,4H2
InChIKeyFCURNSRWEINVNB-UHFFFAOYSA-N
XLogP0.48
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one?
The IUPAC name of 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one (CID 137069232) is 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one.
What is the SMILES notation for 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one?
The canonical SMILES for 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one is O=C1CCN=C1c1[nH]ccc1O.
What is the InChIKey of 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one?
The InChIKey is FCURNSRWEINVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-5-1-3-9-7(5)8-6(12)2-4-10-8/h1,3,9,11H,2,4H2.
What are the key properties of 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one?
5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one has a molecular weight of 164.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-1H-pyrrol-2-yl)-2,3-dihydropyrrol-4-one is sourced from PubChem (CID 137069232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).