2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C15H21NO2 — CID 42904169

IUPAC2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(OC(C)C(=O)N2CCCC2)c1C
InChIInChI=1S/C15H21NO2/c1-11-7-6-8-14(12(11)2)18-13(3)15(17)16-9-4-5-10-16/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyOSWHCUAQMODDJJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 42904169) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID42904169
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(OC(C)C(=O)N2CCCC2)c1C
InChIInChI=1S/C15H21NO2/c1-11-7-6-8-14(12(11)2)18-13(3)15(17)16-9-4-5-10-16/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyOSWHCUAQMODDJJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one
CID 93487021
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 42904169) is 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is Cc1cccc(OC(C)C(=O)N2CCCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OSWHCUAQMODDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-6-8-14(12(11)2)18-13(3)15(17)16-9-4-5-10-16/h6-8,13H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 42904169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).