2-(2,5-dimethylpyrrol-1-yl)acetamide

C8H12N2O — CID 4850927

IUPAC2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1CC(N)=O
InChIInChI=1S/C8H12N2O/c1-6-3-4-7(2)10(6)5-8(9)11/h3-4H,5H2,1-2H3,(H2,9,11)
InChIKeyAAIDGDSKTHHHQM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)acetamide

2-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 4850927) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID4850927
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1CC(N)=O
InChIInChI=1S/C8H12N2O/c1-6-3-4-7(2)10(6)5-8(9)11/h3-4H,5H2,1-2H3,(H2,9,11)
InChIKeyAAIDGDSKTHHHQM-UHFFFAOYSA-N
XLogP0.59
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)acetamide (CID 4850927) is 2-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)acetamide is Cc1ccc(C)n1CC(N)=O.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is AAIDGDSKTHHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-4-7(2)10(6)5-8(9)11/h3-4H,5H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)acetamide?
2-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 4850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).