1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

C21H25NO3 — CID 2516755

IUPAC1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
SMILESCc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1C1CC1
InChIInChI=1S/C21H25NO3/c1-13-10-17(14(2)22(13)16-8-9-16)18(23)12-24-19-7-5-6-15-11-21(3,4)25-20(15)19/h5-7,10,16H,8-9,11-12H2,1-4H3
InChIKeyZCWUZPCMRIOHIP-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.42
Rot. Bonds5

About 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (PubChem CID 2516755) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
PubChem CID2516755
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
SMILESCc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1C1CC1
InChIInChI=1S/C21H25NO3/c1-13-10-17(14(2)22(13)16-8-9-16)18(23)12-24-19-7-5-6-15-11-21(3,4)25-20(15)19/h5-7,10,16H,8-9,11-12H2,1-4H3
InChIKeyZCWUZPCMRIOHIP-UHFFFAOYSA-N
XLogP4.42
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone with MolForge

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Related Compounds

[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 29404714
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(furan-2-yl)ethanone
CID 43412852
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
2-(3-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110656226
2-(4-chloro-2-methylphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110656262
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164847
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 2564498
ethyl 5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8863733
1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
CID 43799801
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbut-2-enoic acid
CID 77005442

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (CID 2516755) is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is Cc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The InChIKey is ZCWUZPCMRIOHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-13-10-17(14(2)22(13)16-8-9-16)18(23)12-24-19-7-5-6-15-11-21(3,4)25-20(15)19/h5-7,10,16H,8-9,11-12H2,1-4H3.
What are the key properties of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone has a molecular weight of 339.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is sourced from PubChem (CID 2516755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).