4-methyl-1H-pyrrole-3-carboxamide

C6H8N2O — CID 90790023

IUPAC4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(N)=O
InChIInChI=1S/C6H8N2O/c1-4-2-8-3-5(4)6(7)9/h2-3,8H,1H3,(H2,7,9)
InChIKeyWVVVLOJZCPRPQC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.42
Rot. Bonds1

About 4-methyl-1H-pyrrole-3-carboxamide

4-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90790023) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1H-pyrrole-3-carboxamide
PubChem CID90790023
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(N)=O
InChIInChI=1S/C6H8N2O/c1-4-2-8-3-5(4)6(7)9/h2-3,8H,1H3,(H2,7,9)
InChIKeyWVVVLOJZCPRPQC-UHFFFAOYSA-N
XLogP0.42
TPSA58.88 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-methyl-1H-pyrrole-3-carboxamide (CID 90790023) is 4-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-methyl-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(N)=O.
What is the InChIKey of 4-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is WVVVLOJZCPRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-2-8-3-5(4)6(7)9/h2-3,8H,1H3,(H2,7,9).
What are the key properties of 4-methyl-1H-pyrrole-3-carboxamide?
4-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90790023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).