1-(3,5-dimethylphenyl)pyrrole-2-carboxamide

C13H14N2O — CID 174715145

IUPAC1-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(-n2cccc2C(N)=O)c1
InChIInChI=1S/C13H14N2O/c1-9-6-10(2)8-11(7-9)15-5-3-4-12(15)13(14)16/h3-8H,1-2H3,(H2,14,16)
InChIKeyMDWNRXZQUGUEFN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.19
Rot. Bonds2

About 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide

1-(3,5-dimethylphenyl)pyrrole-2-carboxamide (PubChem CID 174715145) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)pyrrole-2-carboxamide
PubChem CID174715145
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(-n2cccc2C(N)=O)c1
InChIInChI=1S/C13H14N2O/c1-9-6-10(2)8-11(7-9)15-5-3-4-12(15)13(14)16/h3-8H,1-2H3,(H2,14,16)
InChIKeyMDWNRXZQUGUEFN-UHFFFAOYSA-N
XLogP2.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide (CID 174715145) is 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide is Cc1cc(C)cc(-n2cccc2C(N)=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The InChIKey is MDWNRXZQUGUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-10(2)8-11(7-9)15-5-3-4-12(15)13(14)16/h3-8H,1-2H3,(H2,14,16).
What are the key properties of 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
1-(3,5-dimethylphenyl)pyrrole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 174715145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).