2-(3-acetylpyrrol-1-yl)-N-propylacetamide

C11H16N2O2 — CID 79107025

IUPAC2-(3-acetylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(C(C)=O)c1
InChIInChI=1S/C11H16N2O2/c1-3-5-12-11(15)8-13-6-4-10(7-13)9(2)14/h4,6-7H,3,5,8H2,1-2H3,(H,12,15)
InChIKeyMCYXQZWTGCATOE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds5

About 2-(3-acetylpyrrol-1-yl)-N-propylacetamide

2-(3-acetylpyrrol-1-yl)-N-propylacetamide (PubChem CID 79107025) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-acetylpyrrol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-acetylpyrrol-1-yl)-N-propylacetamide
PubChem CID79107025
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-acetylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(C(C)=O)c1
InChIInChI=1S/C11H16N2O2/c1-3-5-12-11(15)8-13-6-4-10(7-13)9(2)14/h4,6-7H,3,5,8H2,1-2H3,(H,12,15)
InChIKeyMCYXQZWTGCATOE-UHFFFAOYSA-N
XLogP1.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 79106832
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
1-(1-propylpyrrol-3-yl)ethanone
CID 15439782
2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
CID 79107153
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
CID 79106828
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-propylacetamide (CID 79107025) is 2-(3-acetylpyrrol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-acetylpyrrol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-acetylpyrrol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1ccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylpyrrol-1-yl)-N-propylacetamide?
The InChIKey is MCYXQZWTGCATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-5-12-11(15)8-13-6-4-10(7-13)9(2)14/h4,6-7H,3,5,8H2,1-2H3,(H,12,15).
What are the key properties of 2-(3-acetylpyrrol-1-yl)-N-propylacetamide?
2-(3-acetylpyrrol-1-yl)-N-propylacetamide has a molecular weight of 208.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyrrol-1-yl)-N-propylacetamide is sourced from PubChem (CID 79107025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).