4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile

C19H18N2O2 — CID 2079009

IUPAC4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H18N2O2/c20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-14-19(22)21-11-1-2-12-21/h3-10H,1-2,11-12,14H2
InChIKeyRYEILAQALJCSLE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.23
Rot. Bonds4

About 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile

4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile (PubChem CID 2079009) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
PubChem CID2079009
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H18N2O2/c20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-14-19(22)21-11-1-2-12-21/h3-10H,1-2,11-12,14H2
InChIKeyRYEILAQALJCSLE-UHFFFAOYSA-N
XLogP3.23
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 51090889
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile
CID 18120074
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 46448701
[2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984058
4-[4-[2-(4-propan-2-ylphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55716173
4-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533324
4-[4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 32657301
4-[4-[2-(4-phenylmethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720577
4-[[4-[2-(4-acetylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31342765

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The IUPAC name of 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile (CID 2079009) is 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The InChIKey is RYEILAQALJCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-14-19(22)21-11-1-2-12-21/h3-10H,1-2,11-12,14H2.
What are the key properties of 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile is sourced from PubChem (CID 2079009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).