2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile

C16H20N2O2 — CID 83137794

IUPAC2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCCC1CCC(C)N1C(=O)COc1ccccc1C#N
InChIInChI=1S/C16H20N2O2/c1-3-14-9-8-12(2)18(14)16(19)11-20-15-7-5-4-6-13(15)10-17/h4-7,12,14H,3,8-9,11H2,1-2H3
InChIKeyMYXWPZSGTSFDCC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile

2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile (PubChem CID 83137794) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
PubChem CID83137794
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCCC1CCC(C)N1C(=O)COc1ccccc1C#N
InChIInChI=1S/C16H20N2O2/c1-3-14-9-8-12(2)18(14)16(19)11-20-15-7-5-4-6-13(15)10-17/h4-7,12,14H,3,8-9,11H2,1-2H3
InChIKeyMYXWPZSGTSFDCC-UHFFFAOYSA-N
XLogP2.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile
CID 97256345
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
2-(4-aminophenoxy)-1-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83218230
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
CID 43183682
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile (CID 83137794) is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile is CCC1CCC(C)N1C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is MYXWPZSGTSFDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14-9-8-12(2)18(14)16(19)11-20-15-7-5-4-6-13(15)10-17/h4-7,12,14H,3,8-9,11H2,1-2H3.
What are the key properties of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 83137794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).