2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile

C18H16N2O2 — CID 26686013

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N2O2/c19-12-14-4-1-2-5-15(14)13-22-17-9-7-16(8-10-17)20-11-3-6-18(20)21/h1-2,4-5,7-10H,3,6,11,13H2
InChIKeyVIXVYEHJDNDLJD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.26
Rot. Bonds4

About 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile

2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile (PubChem CID 26686013) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
PubChem CID26686013
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N2O2/c19-12-14-4-1-2-5-15(14)13-22-17-9-7-16(8-10-17)20-11-3-6-18(20)21/h1-2,4-5,7-10H,3,6,11,13H2
InChIKeyVIXVYEHJDNDLJD-UHFFFAOYSA-N
XLogP3.26
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
CID 112808160
2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]benzonitrile
CID 67626629
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
CID 26053591
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51314093
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
2-[[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 6505234
1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8647905
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119439937
2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53416774
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile (CID 26686013) is 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile is N#Cc1ccccc1COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile?
The InChIKey is VIXVYEHJDNDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-12-14-4-1-2-5-15(14)13-22-17-9-7-16(8-10-17)20-11-3-6-18(20)21/h1-2,4-5,7-10H,3,6,11,13H2.
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile?
2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 26686013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).