N-methyl-1H-pyrrole-3-carboxamide

C6H8N2O — CID 55284998

IUPACN-methyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cc[nH]c1
InChIInChI=1S/C6H8N2O/c1-7-6(9)5-2-3-8-4-5/h2-4,8H,1H3,(H,7,9)
InChIKeyCQASWKGQWZLKHN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.37
Rot. Bonds1

About N-methyl-1H-pyrrole-3-carboxamide

N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 55284998) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1H-pyrrole-3-carboxamide
PubChem CID55284998
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-methyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cc[nH]c1
InChIInChI=1S/C6H8N2O/c1-7-6(9)5-2-3-8-4-5/h2-4,8H,1H3,(H,7,9)
InChIKeyCQASWKGQWZLKHN-UHFFFAOYSA-N
XLogP0.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-methyl-1H-pyrrole-3-carboxamide (CID 55284998) is N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-1H-pyrrole-3-carboxamide is CNC(=O)c1cc[nH]c1.
What is the InChIKey of N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is CQASWKGQWZLKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-7-6(9)5-2-3-8-4-5/h2-4,8H,1H3,(H,7,9).
What are the key properties of N-methyl-1H-pyrrole-3-carboxamide?
N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 55284998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).