N-phenyl-1H-pyrrole-2-carboxamide

C11H10N2O — CID 899774

IUPACN-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C11H10N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-8,12H,(H,13,14)
InChIKeyMZPAQCAPWLAKSD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.27
Rot. Bonds2

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

N-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 899774) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-1H-pyrrole-2-carboxamide
PubChem CID899774
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C11H10N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-8,12H,(H,13,14)
InChIKeyMZPAQCAPWLAKSD-UHFFFAOYSA-N
XLogP2.27
TPSA44.89 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-phenyl-1H-pyrrole-2-carboxamide (CID 899774) is N-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-phenyl-1H-pyrrole-2-carboxamide is O=C(Nc1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is MZPAQCAPWLAKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-8,12H,(H,13,14).
What are the key properties of N-phenyl-1H-pyrrole-2-carboxamide?
N-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 186.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 899774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).