3-(2,5-dimethylpyrrol-1-yl)propanamide

C9H14N2O — CID 43553922

IUPAC3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1CCC(N)=O
InChIInChI=1S/C9H14N2O/c1-7-3-4-8(2)11(7)6-5-9(10)12/h3-4H,5-6H2,1-2H3,(H2,10,12)
InChIKeyLIELUMLOUCDYBB-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds3

About 3-(2,5-dimethylpyrrol-1-yl)propanamide

3-(2,5-dimethylpyrrol-1-yl)propanamide (PubChem CID 43553922) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)propanamide
PubChem CID43553922
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1CCC(N)=O
InChIInChI=1S/C9H14N2O/c1-7-3-4-8(2)11(7)6-5-9(10)12/h3-4H,5-6H2,1-2H3,(H2,10,12)
InChIKeyLIELUMLOUCDYBB-UHFFFAOYSA-N
XLogP0.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)propanamide (CID 43553922) is 3-(2,5-dimethylpyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)propanamide is Cc1ccc(C)n1CCC(N)=O.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)propanamide?
The InChIKey is LIELUMLOUCDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-4-8(2)11(7)6-5-9(10)12/h3-4H,5-6H2,1-2H3,(H2,10,12).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)propanamide?
3-(2,5-dimethylpyrrol-1-yl)propanamide has a molecular weight of 166.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)propanamide is sourced from PubChem (CID 43553922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).