4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide

C5H6N2O3 — CID 56604062

IUPAC4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide
SMILESNC(=O)C1=C(O)C(=O)NC1
InChIInChI=1S/C5H6N2O3/c6-4(9)2-1-7-5(10)3(2)8/h8H,1H2,(H2,6,9)(H,7,10)
InChIKeyMZDCBWACAMJKAP-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.59
Rot. Bonds1

About 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide

4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide (PubChem CID 56604062) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide
PubChem CID56604062
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide
SMILESNC(=O)C1=C(O)C(=O)NC1
InChIInChI=1S/C5H6N2O3/c6-4(9)2-1-7-5(10)3(2)8/h8H,1H2,(H2,6,9)(H,7,10)
InChIKeyMZDCBWACAMJKAP-UHFFFAOYSA-N
XLogP-1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide (CID 56604062) is 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide is NC(=O)C1=C(O)C(=O)NC1.
What is the InChIKey of 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide?
The InChIKey is MZDCBWACAMJKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c6-4(9)2-1-7-5(10)3(2)8/h8H,1H2,(H2,6,9)(H,7,10).
What are the key properties of 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide?
4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide has a molecular weight of 142.11 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide is sourced from PubChem (CID 56604062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).