1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

C17H25NO2 — CID 83219428

IUPAC1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1C(C)CCC1CC
InChIInChI=1S/C17H25NO2/c1-4-14-11-10-13(3)18(14)12-16(19)15-8-6-7-9-17(15)20-5-2/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyCVGKYYQTXVZVKH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.53
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (PubChem CID 83219428) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
PubChem CID83219428
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1C(C)CCC1CC
InChIInChI=1S/C17H25NO2/c1-4-14-11-10-13(3)18(14)12-16(19)15-8-6-7-9-17(15)20-5-2/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyCVGKYYQTXVZVKH-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220282
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CID 83219914
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
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[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]benzenecarbothioamide
CID 83227479
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (CID 83219428) is 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is CCOc1ccccc1C(=O)CN1C(C)CCC1CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The InChIKey is CVGKYYQTXVZVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-14-11-10-13(3)18(14)12-16(19)15-8-6-7-9-17(15)20-5-2/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 83219428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).