ethyl 2-(3-propanoylpyrrol-1-yl)acetate

C11H15NO3 — CID 79098187

IUPACethyl 2-(3-propanoylpyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(C(=O)CC)c1
InChIInChI=1S/C11H15NO3/c1-3-10(13)9-5-6-12(7-9)8-11(14)15-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYLPRGEOEMMBZJO-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.64
Rot. Bonds5

About ethyl 2-(3-propanoylpyrrol-1-yl)acetate

ethyl 2-(3-propanoylpyrrol-1-yl)acetate (PubChem CID 79098187) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(3-propanoylpyrrol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-propanoylpyrrol-1-yl)acetate
PubChem CID79098187
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(3-propanoylpyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(C(=O)CC)c1
InChIInChI=1S/C11H15NO3/c1-3-10(13)9-5-6-12(7-9)8-11(14)15-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYLPRGEOEMMBZJO-UHFFFAOYSA-N
XLogP1.64
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-propanoylpyrrol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-propanoylpyrrol-1-yl)acetate (CID 79098187) is ethyl 2-(3-propanoylpyrrol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-propanoylpyrrol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-propanoylpyrrol-1-yl)acetate is CCOC(=O)Cn1ccc(C(=O)CC)c1.
What is the InChIKey of ethyl 2-(3-propanoylpyrrol-1-yl)acetate?
The InChIKey is YLPRGEOEMMBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-10(13)9-5-6-12(7-9)8-11(14)15-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(3-propanoylpyrrol-1-yl)acetate?
ethyl 2-(3-propanoylpyrrol-1-yl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-propanoylpyrrol-1-yl)acetate is sourced from PubChem (CID 79098187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).