N-benzyl-1H-pyrrole-2-carboxamide

C12H12N2O — CID 11019886

IUPACN-benzyl-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
InChIKeyPSYQATYJXPGBDC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.94
Rot. Bonds3

About N-benzyl-1H-pyrrole-2-carboxamide

N-benzyl-1H-pyrrole-2-carboxamide (PubChem CID 11019886) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-benzyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1H-pyrrole-2-carboxamide
PubChem CID11019886
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-benzyl-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
InChIKeyPSYQATYJXPGBDC-UHFFFAOYSA-N
XLogP1.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1H-pyrrole-2-carboxamide (CID 11019886) is N-benzyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-benzyl-1H-pyrrole-2-carboxamide?
The InChIKey is PSYQATYJXPGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15).
What are the key properties of N-benzyl-1H-pyrrole-2-carboxamide?
N-benzyl-1H-pyrrole-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11019886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).