1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile

C15H18N2O2 — CID 82089561

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCc1cccc(OCCN2CC(C#N)CC2=O)c1C
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-14(12(11)2)19-7-6-17-10-13(9-16)8-15(17)18/h3-5,13H,6-8,10H2,1-2H3
InChIKeyGRERRXHGJPZEJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile

1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 82089561) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID82089561
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCc1cccc(OCCN2CC(C#N)CC2=O)c1C
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-14(12(11)2)19-7-6-17-10-13(9-16)8-15(17)18/h3-5,13H,6-8,10H2,1-2H3
InChIKeyGRERRXHGJPZEJT-UHFFFAOYSA-N
XLogP2.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82086762
1-[2-(2-bromophenoxy)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116820351
1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116820334
2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
CID 116820331
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
(3S,8aS)-2-[2-(2,3-dimethylphenoxy)ethyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165421867
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 3161594
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile (CID 82089561) is 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile is Cc1cccc(OCCN2CC(C#N)CC2=O)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is GRERRXHGJPZEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-3-5-14(12(11)2)19-7-6-17-10-13(9-16)8-15(17)18/h3-5,13H,6-8,10H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile?
1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 82089561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).