2-hydroxy-1-pyrrol-1-ylethanone

C6H7NO2 — CID 11320937

IUPAC2-hydroxy-1-pyrrol-1-ylethanone
SMILESO=C(CO)n1cccc1
InChIInChI=1S/C6H7NO2/c8-5-6(9)7-3-1-2-4-7/h1-4,8H,5H2
InChIKeyUORWYMJDXDODKH-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.12
Rot. Bonds1

About 2-hydroxy-1-pyrrol-1-ylethanone

2-hydroxy-1-pyrrol-1-ylethanone (PubChem CID 11320937) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrol-1-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-pyrrol-1-ylethanone
PubChem CID11320937
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-hydroxy-1-pyrrol-1-ylethanone
SMILESO=C(CO)n1cccc1
InChIInChI=1S/C6H7NO2/c8-5-6(9)7-3-1-2-4-7/h1-4,8H,5H2
InChIKeyUORWYMJDXDODKH-UHFFFAOYSA-N
XLogP0.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrrol-1-ylethanone?
The IUPAC name of 2-hydroxy-1-pyrrol-1-ylethanone (CID 11320937) is 2-hydroxy-1-pyrrol-1-ylethanone.
What is the SMILES notation for 2-hydroxy-1-pyrrol-1-ylethanone?
The canonical SMILES for 2-hydroxy-1-pyrrol-1-ylethanone is O=C(CO)n1cccc1.
What is the InChIKey of 2-hydroxy-1-pyrrol-1-ylethanone?
The InChIKey is UORWYMJDXDODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-5-6(9)7-3-1-2-4-7/h1-4,8H,5H2.
What are the key properties of 2-hydroxy-1-pyrrol-1-ylethanone?
2-hydroxy-1-pyrrol-1-ylethanone has a molecular weight of 125.13 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-pyrrol-1-ylethanone is sourced from PubChem (CID 11320937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).