3-hydroxy-N-methylpyrrole-1-carboxamide

C6H8N2O2 — CID 22026019

IUPAC3-hydroxy-N-methylpyrrole-1-carboxamide
SMILESCNC(=O)n1ccc(O)c1
InChIInChI=1S/C6H8N2O2/c1-7-6(10)8-3-2-5(9)4-8/h2-4,9H,1H3,(H,7,10)
InChIKeyMHDAHXBMJYMYGM-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.38
Rot. Bonds

About 3-hydroxy-N-methylpyrrole-1-carboxamide

3-hydroxy-N-methylpyrrole-1-carboxamide (PubChem CID 22026019) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-hydroxy-N-methylpyrrole-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methylpyrrole-1-carboxamide
PubChem CID22026019
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-hydroxy-N-methylpyrrole-1-carboxamide
SMILESCNC(=O)n1ccc(O)c1
InChIInChI=1S/C6H8N2O2/c1-7-6(10)8-3-2-5(9)4-8/h2-4,9H,1H3,(H,7,10)
InChIKeyMHDAHXBMJYMYGM-UHFFFAOYSA-N
XLogP0.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methylpyrrole-1-carboxamide?
The IUPAC name of 3-hydroxy-N-methylpyrrole-1-carboxamide (CID 22026019) is 3-hydroxy-N-methylpyrrole-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methylpyrrole-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-methylpyrrole-1-carboxamide is CNC(=O)n1ccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methylpyrrole-1-carboxamide?
The InChIKey is MHDAHXBMJYMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-7-6(10)8-3-2-5(9)4-8/h2-4,9H,1H3,(H,7,10).
What are the key properties of 3-hydroxy-N-methylpyrrole-1-carboxamide?
3-hydroxy-N-methylpyrrole-1-carboxamide has a molecular weight of 140.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methylpyrrole-1-carboxamide is sourced from PubChem (CID 22026019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).