N-methyl-2H-pyrrole-5-carboxamide

C6H8N2O — CID 151822544

IUPACN-methyl-2H-pyrrole-5-carboxamide
SMILESCNC(=O)C1=NCC=C1
InChIInChI=1S/C6H8N2O/c1-7-6(9)5-3-2-4-8-5/h2-3H,4H2,1H3,(H,7,9)
InChIKeySCXWRRFKQGBAOI-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.26
Rot. Bonds1

About N-methyl-2H-pyrrole-5-carboxamide

N-methyl-2H-pyrrole-5-carboxamide (PubChem CID 151822544) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-methyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2H-pyrrole-5-carboxamide
PubChem CID151822544
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-methyl-2H-pyrrole-5-carboxamide
SMILESCNC(=O)C1=NCC=C1
InChIInChI=1S/C6H8N2O/c1-7-6(9)5-3-2-4-8-5/h2-3H,4H2,1H3,(H,7,9)
InChIKeySCXWRRFKQGBAOI-UHFFFAOYSA-N
XLogP-0.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-pyrrole-5-carboxamide?
The IUPAC name of N-methyl-2H-pyrrole-5-carboxamide (CID 151822544) is N-methyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for N-methyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for N-methyl-2H-pyrrole-5-carboxamide is CNC(=O)C1=NCC=C1.
What is the InChIKey of N-methyl-2H-pyrrole-5-carboxamide?
The InChIKey is SCXWRRFKQGBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-7-6(9)5-3-2-4-8-5/h2-3H,4H2,1H3,(H,7,9).
What are the key properties of N-methyl-2H-pyrrole-5-carboxamide?
N-methyl-2H-pyrrole-5-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 151822544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).