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

C11H16N2O2 — CID 79107452

IUPAC3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cccc1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-3-12-11(15)6-8-13-7-4-5-10(13)9(2)14/h4-5,7H,3,6,8H2,1-2H3,(H,12,15)
InChIKeyFTOCDICMTMMNMU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds5

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

3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide (PubChem CID 79107452) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide
PubChem CID79107452
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cccc1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-3-12-11(15)6-8-13-7-4-5-10(13)9(2)14/h4-5,7H,3,6,8H2,1-2H3,(H,12,15)
InChIKeyFTOCDICMTMMNMU-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

Analyze 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 116624442
1-[1-(3-hydroxy-3-methylbutyl)pyrrol-2-yl]ethanone
CID 79355820
1-[1-(4-methylpentyl)pyrrol-2-yl]ethanone
CID 83157804
2-(2-carbamothioylpyrrol-1-yl)-N-ethylacetamide
CID 114653909
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
1-[1-(4-phenylbutyl)pyrrol-2-yl]ethanone
CID 114334265
N-ethyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide
CID 14956315
1-[1-(2-methylidenebutyl)pyrrol-2-yl]ethanone
CID 79107556
1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide (CID 79107452) is 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cccc1C(C)=O.
What is the InChIKey of 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide?
The InChIKey is FTOCDICMTMMNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-12-11(15)6-8-13-7-4-5-10(13)9(2)14/h4-5,7H,3,6,8H2,1-2H3,(H,12,15).
What are the key properties of 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide?
3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide 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 3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 79107452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).