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

C16H22N2O2 — CID 115928567

IUPAC1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccccc1N1CCCC1=O)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-5-2-3-6-15(14)18-9-4-7-16(18)19/h2-3,5-6,12-13,17H,4,7-11H2,1H3
InChIKeyIEOTWGHUAQBYDD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds4

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

1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 115928567) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID115928567
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccccc1N1CCCC1=O)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-5-2-3-6-15(14)18-9-4-7-16(18)19/h2-3,5-6,12-13,17H,4,7-11H2,1H3
InChIKeyIEOTWGHUAQBYDD-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-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63331370
1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917242
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
CID 43608552
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 43103289
1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 104652182
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43107337

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 115928567) is 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1ccccc1N1CCCC1=O)C1CCOC1.
What is the InChIKey of 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is IEOTWGHUAQBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(13-8-10-20-11-13)17-14-5-2-3-6-15(14)18-9-4-7-16(18)19/h2-3,5-6,12-13,17H,4,7-11H2,1H3.
What are the key properties of 1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[2-[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-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 115928567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).