N-(4-cyanophenyl)pyrrole-1-carboxamide

C12H9N3O — CID 57233702

IUPACN-(4-cyanophenyl)pyrrole-1-carboxamide
SMILESN#Cc1ccc(NC(=O)n2cccc2)cc1
InChIInChI=1S/C12H9N3O/c13-9-10-3-5-11(6-4-10)14-12(16)15-7-1-2-8-15/h1-8H,(H,14,16)
InChIKeyMLEKDHRKDOMDKU-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.44
Rot. Bonds1

About N-(4-cyanophenyl)pyrrole-1-carboxamide

N-(4-cyanophenyl)pyrrole-1-carboxamide (PubChem CID 57233702) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4-cyanophenyl)pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)pyrrole-1-carboxamide
PubChem CID57233702
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-(4-cyanophenyl)pyrrole-1-carboxamide
SMILESN#Cc1ccc(NC(=O)n2cccc2)cc1
InChIInChI=1S/C12H9N3O/c13-9-10-3-5-11(6-4-10)14-12(16)15-7-1-2-8-15/h1-8H,(H,14,16)
InChIKeyMLEKDHRKDOMDKU-UHFFFAOYSA-N
XLogP2.44
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)pyrrole-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)pyrrole-1-carboxamide (CID 57233702) is N-(4-cyanophenyl)pyrrole-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)pyrrole-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)pyrrole-1-carboxamide is N#Cc1ccc(NC(=O)n2cccc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)pyrrole-1-carboxamide?
The InChIKey is MLEKDHRKDOMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-9-10-3-5-11(6-4-10)14-12(16)15-7-1-2-8-15/h1-8H,(H,14,16).
What are the key properties of N-(4-cyanophenyl)pyrrole-1-carboxamide?
N-(4-cyanophenyl)pyrrole-1-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)pyrrole-1-carboxamide is sourced from PubChem (CID 57233702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).