5-(hydroxymethyl)-1H-pyrrol-2-ol

C5H7NO2 — CID 91471800

IUPAC5-(hydroxymethyl)-1H-pyrrol-2-ol
SMILESOCc1ccc(O)[nH]1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,6-8H,3H2
InChIKeyLGGUQHUUFRLLIC-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.21
Rot. Bonds1

About 5-(hydroxymethyl)-1H-pyrrol-2-ol

5-(hydroxymethyl)-1H-pyrrol-2-ol (PubChem CID 91471800) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1H-pyrrol-2-ol
PubChem CID91471800
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-(hydroxymethyl)-1H-pyrrol-2-ol
SMILESOCc1ccc(O)[nH]1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,6-8H,3H2
InChIKeyLGGUQHUUFRLLIC-UHFFFAOYSA-N
XLogP0.21
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1H-pyrrol-2-ol?
The IUPAC name of 5-(hydroxymethyl)-1H-pyrrol-2-ol (CID 91471800) is 5-(hydroxymethyl)-1H-pyrrol-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-1H-pyrrol-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-1H-pyrrol-2-ol is OCc1ccc(O)[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-1H-pyrrol-2-ol?
The InChIKey is LGGUQHUUFRLLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,6-8H,3H2.
What are the key properties of 5-(hydroxymethyl)-1H-pyrrol-2-ol?
5-(hydroxymethyl)-1H-pyrrol-2-ol has a molecular weight of 113.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1H-pyrrol-2-ol is sourced from PubChem (CID 91471800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).