2,5-dihydroxypyrrole-1-carbaldehyde

C5H5NO3 — CID 54249812

IUPAC2,5-dihydroxypyrrole-1-carbaldehyde
SMILESO=Cn1c(O)ccc1O
InChIInChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-3,8-9H
InChIKeyQPJFBPHPEYOLBB-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.06
Rot. Bonds1

About 2,5-dihydroxypyrrole-1-carbaldehyde

2,5-dihydroxypyrrole-1-carbaldehyde (PubChem CID 54249812) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2,5-dihydroxypyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2,5-dihydroxypyrrole-1-carbaldehyde
PubChem CID54249812
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2,5-dihydroxypyrrole-1-carbaldehyde
SMILESO=Cn1c(O)ccc1O
InChIInChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-3,8-9H
InChIKeyQPJFBPHPEYOLBB-UHFFFAOYSA-N
XLogP-0.06
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxypyrrole-1-carbaldehyde?
The IUPAC name of 2,5-dihydroxypyrrole-1-carbaldehyde (CID 54249812) is 2,5-dihydroxypyrrole-1-carbaldehyde.
What is the SMILES notation for 2,5-dihydroxypyrrole-1-carbaldehyde?
The canonical SMILES for 2,5-dihydroxypyrrole-1-carbaldehyde is O=Cn1c(O)ccc1O.
What is the InChIKey of 2,5-dihydroxypyrrole-1-carbaldehyde?
The InChIKey is QPJFBPHPEYOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-3,8-9H.
What are the key properties of 2,5-dihydroxypyrrole-1-carbaldehyde?
2,5-dihydroxypyrrole-1-carbaldehyde has a molecular weight of 127.10 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxypyrrole-1-carbaldehyde is sourced from PubChem (CID 54249812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).