3H-pyrrole-4-carboxamide

C5H6N2O — CID 124517663

IUPAC3H-pyrrole-4-carboxamide
SMILESNC(=O)C1=CN=CC1
InChIInChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h2-3H,1H2,(H2,6,8)
InChIKeyPOGDTRFNFFWDJN-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.17
Rot. Bonds1

About 3H-pyrrole-4-carboxamide

3H-pyrrole-4-carboxamide (PubChem CID 124517663) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 3H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name3H-pyrrole-4-carboxamide
PubChem CID124517663
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name3H-pyrrole-4-carboxamide
SMILESNC(=O)C1=CN=CC1
InChIInChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h2-3H,1H2,(H2,6,8)
InChIKeyPOGDTRFNFFWDJN-UHFFFAOYSA-N
XLogP-0.17
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrole-4-carboxamide?
The IUPAC name of 3H-pyrrole-4-carboxamide (CID 124517663) is 3H-pyrrole-4-carboxamide.
What is the SMILES notation for 3H-pyrrole-4-carboxamide?
The canonical SMILES for 3H-pyrrole-4-carboxamide is NC(=O)C1=CN=CC1.
What is the InChIKey of 3H-pyrrole-4-carboxamide?
The InChIKey is POGDTRFNFFWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h2-3H,1H2,(H2,6,8).
What are the key properties of 3H-pyrrole-4-carboxamide?
3H-pyrrole-4-carboxamide has a molecular weight of 110.12 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrole-4-carboxamide is sourced from PubChem (CID 124517663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).