3-hydroxy-1,2-dihydropyrrol-5-one

C4H5NO2 — CID 54687243

IUPAC3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(O)CN1
InChIInChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,6H,2H2,(H,5,7)
InChIKeyRUXHWBMJNBBYNL-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.44
Rot. Bonds

About 3-hydroxy-1,2-dihydropyrrol-5-one

3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 54687243) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID54687243
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(O)CN1
InChIInChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,6H,2H2,(H,5,7)
InChIKeyRUXHWBMJNBBYNL-UHFFFAOYSA-N
XLogP-0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-1,2-dihydropyrrol-5-one (CID 54687243) is 3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-1,2-dihydropyrrol-5-one is O=C1C=C(O)CN1.
What is the InChIKey of 3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is RUXHWBMJNBBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,6H,2H2,(H,5,7).
What are the key properties of 3-hydroxy-1,2-dihydropyrrol-5-one?
3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 99.09 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54687243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).