4-hydroxy-3H-pyrrole-5-carboxamide

C5H6N2O2 — CID 159312338

IUPAC4-hydroxy-3H-pyrrole-5-carboxamide
SMILESNC(=O)C1=C(O)CC=N1
InChIInChI=1S/C5H6N2O2/c6-5(9)4-3(8)1-2-7-4/h2,8H,1H2,(H2,6,9)
InChIKeyXNYHHBGIEDJPEO-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.28
Rot. Bonds1

About 4-hydroxy-3H-pyrrole-5-carboxamide

4-hydroxy-3H-pyrrole-5-carboxamide (PubChem CID 159312338) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-hydroxy-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3H-pyrrole-5-carboxamide
PubChem CID159312338
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-hydroxy-3H-pyrrole-5-carboxamide
SMILESNC(=O)C1=C(O)CC=N1
InChIInChI=1S/C5H6N2O2/c6-5(9)4-3(8)1-2-7-4/h2,8H,1H2,(H2,6,9)
InChIKeyXNYHHBGIEDJPEO-UHFFFAOYSA-N
XLogP-0.28
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3H-pyrrole-5-carboxamide?
The IUPAC name of 4-hydroxy-3H-pyrrole-5-carboxamide (CID 159312338) is 4-hydroxy-3H-pyrrole-5-carboxamide.
What is the SMILES notation for 4-hydroxy-3H-pyrrole-5-carboxamide?
The canonical SMILES for 4-hydroxy-3H-pyrrole-5-carboxamide is NC(=O)C1=C(O)CC=N1.
What is the InChIKey of 4-hydroxy-3H-pyrrole-5-carboxamide?
The InChIKey is XNYHHBGIEDJPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5(9)4-3(8)1-2-7-4/h2,8H,1H2,(H2,6,9).
What are the key properties of 4-hydroxy-3H-pyrrole-5-carboxamide?
4-hydroxy-3H-pyrrole-5-carboxamide has a molecular weight of 126.11 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 159312338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).