1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone

C14H15NO2 — CID 79107007

IUPAC1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCOc1ccccc1
InChIInChI=1S/C14H15NO2/c1-12(16)14-8-5-9-15(14)10-11-17-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyNFDYZLFSJJPVQE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.77
Rot. Bonds5

About 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone

1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone (PubChem CID 79107007) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
PubChem CID79107007
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCOc1ccccc1
InChIInChI=1S/C14H15NO2/c1-12(16)14-8-5-9-15(14)10-11-17-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyNFDYZLFSJJPVQE-UHFFFAOYSA-N
XLogP2.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate
CID 105421875
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
1-(3-phenoxypropyl)pyrrole-2-carboxylic acid
CID 62381154
4-acetyl-1-(2-phenoxyethyl)pyrrole-2-carboxylic acid
CID 114604651
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[1-(3-hydroxy-3-methylbutyl)pyrrol-2-yl]ethanone
CID 79355820
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
2-[3-[2-[2-(4-methylbenzoyl)pyrrol-1-yl]ethoxy]phenoxy]acetic acid
CID 21101254
1-(2-phenylmethoxyethyl)pyrrole-2-carboxylic acid
CID 137425559
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]ethanone
CID 79106811
1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
CID 79107239
3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide
CID 79107452

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone (CID 79107007) is 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1CCOc1ccccc1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone?
The InChIKey is NFDYZLFSJJPVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-12(16)14-8-5-9-15(14)10-11-17-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone?
1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 79107007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).