1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one

C16H22N2O2 — CID 115917242

IUPAC1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccc(N2CCCC2=O)cc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-4-6-15(7-5-14)18-9-2-3-16(18)19/h4-7,12-13,17H,2-3,8-11H2,1H3
InChIKeyFEYIVPQNAGGPKU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 115917242) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID115917242
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccc(N2CCCC2=O)cc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-4-6-15(7-5-14)18-9-2-3-16(18)19/h4-7,12-13,17H,2-3,8-11H2,1H3
InChIKeyFEYIVPQNAGGPKU-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one 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-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
1-[4-(oxepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 65081475
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546528
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 115917242) is 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1ccc(N2CCCC2=O)cc1)C1CCOC1.
What is the InChIKey of 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is FEYIVPQNAGGPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-4-6-15(7-5-14)18-9-2-3-16(18)19/h4-7,12-13,17H,2-3,8-11H2,1H3.
What are the key properties of 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 115917242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).