5-oxo-1,2-dihydropyrrole-3-carboxylic acid

C5H5NO3 — CID 67744591

IUPAC5-oxo-1,2-dihydropyrrole-3-carboxylic acid
SMILESO=C1C=C(C(=O)O)CN1
InChIInChI=1S/C5H5NO3/c7-4-1-3(2-6-4)5(8)9/h1H,2H2,(H,6,7)(H,8,9)
InChIKeyDQBRDWRNBOQGCG-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.87
Rot. Bonds1

About 5-oxo-1,2-dihydropyrrole-3-carboxylic acid

5-oxo-1,2-dihydropyrrole-3-carboxylic acid (PubChem CID 67744591) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 5-oxo-1,2-dihydropyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1,2-dihydropyrrole-3-carboxylic acid
PubChem CID67744591
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name5-oxo-1,2-dihydropyrrole-3-carboxylic acid
SMILESO=C1C=C(C(=O)O)CN1
InChIInChI=1S/C5H5NO3/c7-4-1-3(2-6-4)5(8)9/h1H,2H2,(H,6,7)(H,8,9)
InChIKeyDQBRDWRNBOQGCG-UHFFFAOYSA-N
XLogP-0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,2-dihydropyrrole-3-carboxylic acid?
The IUPAC name of 5-oxo-1,2-dihydropyrrole-3-carboxylic acid (CID 67744591) is 5-oxo-1,2-dihydropyrrole-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1,2-dihydropyrrole-3-carboxylic acid?
The canonical SMILES for 5-oxo-1,2-dihydropyrrole-3-carboxylic acid is O=C1C=C(C(=O)O)CN1.
What is the InChIKey of 5-oxo-1,2-dihydropyrrole-3-carboxylic acid?
The InChIKey is DQBRDWRNBOQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-1-3(2-6-4)5(8)9/h1H,2H2,(H,6,7)(H,8,9).
What are the key properties of 5-oxo-1,2-dihydropyrrole-3-carboxylic acid?
5-oxo-1,2-dihydropyrrole-3-carboxylic acid has a molecular weight of 127.10 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,2-dihydropyrrole-3-carboxylic acid is sourced from PubChem (CID 67744591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).