2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile

C15H18N2O2 — CID 91768193

IUPAC2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
SMILESCOCCN1CC(Cc2ccccc2C#N)CC1=O
InChIInChI=1S/C15H18N2O2/c1-19-7-6-17-11-12(9-15(17)18)8-13-4-2-3-5-14(13)10-16/h2-5,12H,6-9,11H2,1H3
InChIKeyWPHHGUNUOINYLO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.60
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile

2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile (PubChem CID 91768193) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
PubChem CID91768193
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
SMILESCOCCN1CC(Cc2ccccc2C#N)CC1=O
InChIInChI=1S/C15H18N2O2/c1-19-7-6-17-11-12(9-15(17)18)8-13-4-2-3-5-14(13)10-16/h2-5,12H,6-9,11H2,1H3
InChIKeyWPHHGUNUOINYLO-UHFFFAOYSA-N
XLogP1.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile?
The IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile (CID 91768193) is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile is COCCN1CC(Cc2ccccc2C#N)CC1=O.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile?
The InChIKey is WPHHGUNUOINYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-7-6-17-11-12(9-15(17)18)8-13-4-2-3-5-14(13)10-16/h2-5,12H,6-9,11H2,1H3.
What are the key properties of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile?
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile is sourced from PubChem (CID 91768193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).