1-methylpyrrole-2-carboxamide;hydrochloride

C6H9ClN2O — CID 21428931

IUPAC1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cccc1C(N)=O
InChIInChI=1S/C6H8N2O.ClH/c1-8-4-2-3-5(8)6(7)9;/h2-4H,1H3,(H2,7,9);1H
InChIKeyYYZVQYVIRZSNMJ-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.55
Rot. Bonds1

About 1-methylpyrrole-2-carboxamide;hydrochloride

1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 21428931) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID21428931
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cccc1C(N)=O
InChIInChI=1S/C6H8N2O.ClH/c1-8-4-2-3-5(8)6(7)9;/h2-4H,1H3,(H2,7,9);1H
InChIKeyYYZVQYVIRZSNMJ-UHFFFAOYSA-N
XLogP0.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.55
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;hydrochloride?
The IUPAC name of 1-methylpyrrole-2-carboxamide;hydrochloride (CID 21428931) is 1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cccc1C(N)=O.
What is the InChIKey of 1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is YYZVQYVIRZSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-8-4-2-3-5(8)6(7)9;/h2-4H,1H3,(H2,7,9);1H.
What are the key properties of 1-methylpyrrole-2-carboxamide;hydrochloride?
1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.55, 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;hydrochloride is sourced from PubChem (CID 21428931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).