(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C16H23NO2 — CID 95358331

IUPAC(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-8-15(9-7-14)19-13(3)16(18)17-10-4-5-11-17/h6-9,12-13H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyHUOIQCSSSSQPCM-CYBMUJFWSA-N
MW261.37 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95358331) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95358331
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-8-15(9-7-14)19-13(3)16(18)17-10-4-5-11-17/h6-9,12-13H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyHUOIQCSSSSQPCM-CYBMUJFWSA-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-methyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546843
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108546840
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544785
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544727
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 95358331) is (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(C)c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HUOIQCSSSSQPCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-6-8-15(9-7-14)19-13(3)16(18)17-10-4-5-11-17/h6-9,12-13H,4-5,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-(4-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 (2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95358331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).