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

C16H22N2O2 — CID 115917292

IUPAC1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-7-9-20-11-13)17-14-4-2-5-15(10-14)18-8-3-6-16(18)19/h2,4-5,10,12-13,17H,3,6-9,11H2,1H3
InChIKeyFOXJBHYHBJYWKH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds4

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

1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 115917292) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID115917292
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-7-9-20-11-13)17-14-4-2-5-15(10-14)18-8-3-6-16(18)19/h2,4-5,10,12-13,17H,3,6-9,11H2,1H3
InChIKeyFOXJBHYHBJYWKH-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

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Related Compounds

1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917242
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 75451908
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
N-(2,6-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248705

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 115917292) is 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1cccc(N2CCCC2=O)c1)C1CCOC1.
What is the InChIKey of 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is FOXJBHYHBJYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(13-7-9-20-11-13)17-14-4-2-5-15(10-14)18-8-3-6-16(18)19/h2,4-5,10,12-13,17H,3,6-9,11H2,1H3.
What are the key properties of 1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[3-[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-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 115917292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).