1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone

C16H21NO2 — CID 79188551

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(CC(=O)c2ccc3c(c2)CCO3)CC1C
InChIInChI=1S/C16H21NO2/c1-11-8-17(9-12(11)2)10-15(18)13-3-4-16-14(7-13)5-6-19-16/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyJEGUCXVIVSWPKQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 79188551) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
PubChem CID79188551
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(CC(=O)c2ccc3c(c2)CCO3)CC1C
InChIInChI=1S/C16H21NO2/c1-11-8-17(9-12(11)2)10-15(18)13-3-4-16-14(7-13)5-6-19-16/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyJEGUCXVIVSWPKQ-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-(1,1-diphenylethyl)pyrrolidin-1-yl]ethanone
CID 71058664
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81195757
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405314
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884646
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 63217755
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 46585627
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone (CID 79188551) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone is CC1CN(CC(=O)c2ccc3c(c2)CCO3)CC1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is JEGUCXVIVSWPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-8-17(9-12(11)2)10-15(18)13-3-4-16-14(7-13)5-6-19-16/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79188551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).