1-methyl-5-phenylpyrrole-2-carboxamide

C12H12N2O — CID 71998827

IUPAC1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCn1c(C(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-14-10(7-8-11(14)12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,15)
InChIKeyJEHKNMWBDRHDMA-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.79
Rot. Bonds2

About 1-methyl-5-phenylpyrrole-2-carboxamide

1-methyl-5-phenylpyrrole-2-carboxamide (PubChem CID 71998827) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-phenylpyrrole-2-carboxamide
PubChem CID71998827
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCn1c(C(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-14-10(7-8-11(14)12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,15)
InChIKeyJEHKNMWBDRHDMA-UHFFFAOYSA-N
XLogP1.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-5-phenylpyrrole-2-carboxamide (CID 71998827) is 1-methyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-5-phenylpyrrole-2-carboxamide is Cn1c(C(N)=O)ccc1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is JEHKNMWBDRHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14-10(7-8-11(14)12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,15).
What are the key properties of 1-methyl-5-phenylpyrrole-2-carboxamide?
1-methyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 71998827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).