1H-pyrrole-3-carboxamide;hydrochloride

C5H7ClN2O — CID 57435535

IUPAC1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc[nH]c1
InChIInChI=1S/C5H6N2O.ClH/c6-5(8)4-1-2-7-3-4;/h1-3,7H,(H2,6,8);1H
InChIKeyTTXOHSURMRJLRU-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.54
Rot. Bonds1

About 1H-pyrrole-3-carboxamide;hydrochloride

1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 57435535) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID57435535
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc[nH]c1
InChIInChI=1S/C5H6N2O.ClH/c6-5(8)4-1-2-7-3-4;/h1-3,7H,(H2,6,8);1H
InChIKeyTTXOHSURMRJLRU-UHFFFAOYSA-N
XLogP0.54
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1H-pyrrole-3-carboxamide;hydrochloride (CID 57435535) is 1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1H-pyrrole-3-carboxamide;hydrochloride is Cl.NC(=O)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is TTXOHSURMRJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c6-5(8)4-1-2-7-3-4;/h1-3,7H,(H2,6,8);1H.
What are the key properties of 1H-pyrrole-3-carboxamide;hydrochloride?
1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 57435535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).