1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

C15H21NO3 — CID 66262261

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C15H21NO3/c1-11(2)12-4-3-5-14(8-12)19-10-15(18)16-7-6-13(17)9-16/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIYIWWBMIKWZFHP-CYBMUJFWSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds4

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 66262261) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID66262261
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C15H21NO3/c1-11(2)12-4-3-5-14(8-12)19-10-15(18)16-7-6-13(17)9-16/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIYIWWBMIKWZFHP-CYBMUJFWSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-propan-2-ylphenoxy)ethanone
CID 119639193
2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262044
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 119664519
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 55718257
2-(4-chloro-3-methylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262530
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 110895902
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119634469
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylperoxyethanone
CID 173206552
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 155499186

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone (CID 66262261) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone is CC(C)c1cccc(OCC(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is IYIWWBMIKWZFHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)12-4-3-5-14(8-12)19-10-15(18)16-7-6-13(17)9-16/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 66262261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).