2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C16H23NO2 — CID 78767912

IUPAC2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-12(2)14-7-6-8-15(11-14)19-13(3)16(18)17-9-4-5-10-17/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyWTAGOWJYFMCFDT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 78767912) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID78767912
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-12(2)14-7-6-8-15(11-14)19-13(3)16(18)17-9-4-5-10-17/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyWTAGOWJYFMCFDT-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 110895902
2-[3-[1-(methylamino)ethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43279861
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
3-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 43086526
1-(2,2-dimethylmorpholin-4-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 55796284
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119466741
2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 55821876
2-[3-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906549
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 120807539
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119631520

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 78767912) is 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WTAGOWJYFMCFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-7-6-8-15(11-14)19-13(3)16(18)17-9-4-5-10-17/h6-8,11-13H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 78767912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).