2-phenyl-1H-pyrrole-3-carboxamide

C11H10N2O — CID 57029978

IUPAC2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N2O/c12-11(14)9-6-7-13-10(9)8-4-2-1-3-5-8/h1-7,13H,(H2,12,14)
InChIKeyGOKBISPXBLCEDU-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.78
Rot. Bonds2

About 2-phenyl-1H-pyrrole-3-carboxamide

2-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 57029978) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-1H-pyrrole-3-carboxamide
PubChem CID57029978
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N2O/c12-11(14)9-6-7-13-10(9)8-4-2-1-3-5-8/h1-7,13H,(H2,12,14)
InChIKeyGOKBISPXBLCEDU-UHFFFAOYSA-N
XLogP1.78
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-phenyl-1H-pyrrole-3-carboxamide (CID 57029978) is 2-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-phenyl-1H-pyrrole-3-carboxamide is NC(=O)c1cc[nH]c1-c1ccccc1.
What is the InChIKey of 2-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is GOKBISPXBLCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)9-6-7-13-10(9)8-4-2-1-3-5-8/h1-7,13H,(H2,12,14).
What are the key properties of 2-phenyl-1H-pyrrole-3-carboxamide?
2-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 186.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 57029978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).