2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide

C15H18N2O — CID 3723866

IUPAC2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2)n1C(C)C
InChIInChI=1S/C15H18N2O/c1-10(2)17-11(3)13(15(16)18)9-14(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,16,18)
InChIKeyJTKKVFASJKPSRH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide

2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 3723866) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID3723866
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2)n1C(C)C
InChIInChI=1S/C15H18N2O/c1-10(2)17-11(3)13(15(16)18)9-14(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,16,18)
InChIKeyJTKKVFASJKPSRH-UHFFFAOYSA-N
XLogP3.14
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide (CID 3723866) is 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccccc2)n1C(C)C.
What is the InChIKey of 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is JTKKVFASJKPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)17-11(3)13(15(16)18)9-14(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,16,18).
What are the key properties of 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide?
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3723866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).