1-(hydroxymethyl)pyrrole-2,5-diol

C5H7NO3 — CID 54060161

IUPAC1-(hydroxymethyl)pyrrole-2,5-diol
SMILESOCn1c(O)ccc1O
InChIInChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h1-2,7-9H,3H2
InChIKeyUWZNFUBVIXOGQR-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.15
Rot. Bonds1

About 1-(hydroxymethyl)pyrrole-2,5-diol

1-(hydroxymethyl)pyrrole-2,5-diol (PubChem CID 54060161) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 1-(hydroxymethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(hydroxymethyl)pyrrole-2,5-diol
PubChem CID54060161
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name1-(hydroxymethyl)pyrrole-2,5-diol
SMILESOCn1c(O)ccc1O
InChIInChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h1-2,7-9H,3H2
InChIKeyUWZNFUBVIXOGQR-UHFFFAOYSA-N
XLogP-0.15
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(hydroxymethyl)pyrrole-2,5-diol (CID 54060161) is 1-(hydroxymethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(hydroxymethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(hydroxymethyl)pyrrole-2,5-diol is OCn1c(O)ccc1O.
What is the InChIKey of 1-(hydroxymethyl)pyrrole-2,5-diol?
The InChIKey is UWZNFUBVIXOGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h1-2,7-9H,3H2.
What are the key properties of 1-(hydroxymethyl)pyrrole-2,5-diol?
1-(hydroxymethyl)pyrrole-2,5-diol has a molecular weight of 129.12 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)pyrrole-2,5-diol is sourced from PubChem (CID 54060161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).