1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one

C13H17NO3 — CID 66262018

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO3/c1-10(17-12-5-3-2-4-6-12)13(16)14-8-7-11(15)9-14/h2-6,10-11,15H,7-9H2,1H3/t10?,11-/m1/s1
InChIKeyIYLUAZLDXYNROK-RRKGBCIJSA-N
MW235.28 g/mol
LogP1.05
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 66262018) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
PubChem CID66262018
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO3/c1-10(17-12-5-3-2-4-6-12)13(16)14-8-7-11(15)9-14/h2-6,10-11,15H,7-9H2,1H3/t10?,11-/m1/s1
InChIKeyIYLUAZLDXYNROK-RRKGBCIJSA-N
XLogP1.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124892362
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 110895902
2-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 66291798

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one (CID 66262018) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is IYLUAZLDXYNROK-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(17-12-5-3-2-4-6-12)13(16)14-8-7-11(15)9-14/h2-6,10-11,15H,7-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.05, 3 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-phenoxypropan-1-one is sourced from PubChem (CID 66262018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).