1-methylpyrrole-2-carboxamide

C6H8N2O — CID 2379477

IUPAC1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(N)=O
InChIInChI=1S/C6H8N2O/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3,(H2,7,9)
InChIKeyFLJBIGAZJFDVTC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.12
Rot. Bonds1

About 1-methylpyrrole-2-carboxamide

1-methylpyrrole-2-carboxamide (PubChem CID 2379477) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methylpyrrole-2-carboxamide
PubChem CID2379477
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(N)=O
InChIInChI=1S/C6H8N2O/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3,(H2,7,9)
InChIKeyFLJBIGAZJFDVTC-UHFFFAOYSA-N
XLogP0.12
TPSA48.02 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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2-carboxamide?
The IUPAC name of 1-methylpyrrole-2-carboxamide (CID 2379477) is 1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-methylpyrrole-2-carboxamide is Cn1cccc1C(N)=O.
What is the InChIKey of 1-methylpyrrole-2-carboxamide?
The InChIKey is FLJBIGAZJFDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3,(H2,7,9).
What are the key properties of 1-methylpyrrole-2-carboxamide?
1-methylpyrrole-2-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 2379477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).