1-hydroxypyrrol-2-ol

C4H5NO2 — CID 21225236

IUPAC1-hydroxypyrrol-2-ol
SMILESOc1cccn1O
InChIInChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-3,6-7H
InChIKeyGUMHIQSZHCYMSN-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.43
Rot. Bonds

About 1-hydroxypyrrol-2-ol

1-hydroxypyrrol-2-ol (PubChem CID 21225236) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-hydroxypyrrol-2-ol.

Molecular Properties

Compound Name1-hydroxypyrrol-2-ol
PubChem CID21225236
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name1-hydroxypyrrol-2-ol
SMILESOc1cccn1O
InChIInChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-3,6-7H
InChIKeyGUMHIQSZHCYMSN-UHFFFAOYSA-N
XLogP0.43
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrol-2-ol?
The IUPAC name of 1-hydroxypyrrol-2-ol (CID 21225236) is 1-hydroxypyrrol-2-ol.
What is the SMILES notation for 1-hydroxypyrrol-2-ol?
The canonical SMILES for 1-hydroxypyrrol-2-ol is Oc1cccn1O.
What is the InChIKey of 1-hydroxypyrrol-2-ol?
The InChIKey is GUMHIQSZHCYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-3,6-7H.
What are the key properties of 1-hydroxypyrrol-2-ol?
1-hydroxypyrrol-2-ol has a molecular weight of 99.09 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrol-2-ol is sourced from PubChem (CID 21225236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).