2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile

C14H16N2O3 — CID 103533289

IUPAC2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCOC1CCN(C(=O)COc2ccccc2C#N)C1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3
InChIKeyJAAWVMNBBXLOBH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.18
Rot. Bonds4

About 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile

2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile (PubChem CID 103533289) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
PubChem CID103533289
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCOC1CCN(C(=O)COc2ccccc2C#N)C1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3
InChIKeyJAAWVMNBBXLOBH-UHFFFAOYSA-N
XLogP1.18
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 38607341
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
CID 51245670
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile (CID 103533289) is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile is COC1CCN(C(=O)COc2ccccc2C#N)C1.
What is the InChIKey of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is JAAWVMNBBXLOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3.
What are the key properties of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile?
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 260.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 103533289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).