2-amino-1-hydroxypyrrol-3-ol

C4H6N2O2 — CID 55283789

IUPAC2-amino-1-hydroxypyrrol-3-ol
SMILESNc1c(O)ccn1O
InChIInChI=1S/C4H6N2O2/c5-4-3(7)1-2-6(4)8/h1-2,7-8H,5H2
InChIKeyPUZGNPNFVUUGJZ-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.01
Rot. Bonds

About 2-amino-1-hydroxypyrrol-3-ol

2-amino-1-hydroxypyrrol-3-ol (PubChem CID 55283789) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-amino-1-hydroxypyrrol-3-ol.

Molecular Properties

Compound Name2-amino-1-hydroxypyrrol-3-ol
PubChem CID55283789
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-amino-1-hydroxypyrrol-3-ol
SMILESNc1c(O)ccn1O
InChIInChI=1S/C4H6N2O2/c5-4-3(7)1-2-6(4)8/h1-2,7-8H,5H2
InChIKeyPUZGNPNFVUUGJZ-UHFFFAOYSA-N
XLogP0.01
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-amino-1-hydroxypyrrol-3-ol?
The IUPAC name of 2-amino-1-hydroxypyrrol-3-ol (CID 55283789) is 2-amino-1-hydroxypyrrol-3-ol.
What is the SMILES notation for 2-amino-1-hydroxypyrrol-3-ol?
The canonical SMILES for 2-amino-1-hydroxypyrrol-3-ol is Nc1c(O)ccn1O.
What is the InChIKey of 2-amino-1-hydroxypyrrol-3-ol?
The InChIKey is PUZGNPNFVUUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c5-4-3(7)1-2-6(4)8/h1-2,7-8H,5H2.
What are the key properties of 2-amino-1-hydroxypyrrol-3-ol?
2-amino-1-hydroxypyrrol-3-ol has a molecular weight of 114.10 g/mol, XLogP of 0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxypyrrol-3-ol is sourced from PubChem (CID 55283789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).