A1ED9

1-(1H-pyrrol-3-yl)ethanone

Created:	2024-10-18
Last modified:	2025-08-27

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1 entries where A1ED9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	5

2D diagram of A1ED9

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Chemical Component Summary
Name	1-(1H-pyrrol-3-yl)ethanone
Synonyms	3-Acetylpyrrole
Systematic Name (OpenEye OEToolkits)	1-(1~{H}-pyrrol-3-yl)ethanone
Formula	C₆ H₇ N O
Molecular Weight	109.126
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1c[nH]cc1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cc[nH]c1
Canonical SMILES	CACTVS	3.385	CC(=O)c1c[nH]cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cc[nH]c1
InChI	InChI	1.06	InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
InChIKey	InChI	1.06	KHHSXHXUQVNBGA-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.