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

C13H17NO3 — CID 66291437

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO3/c15-11-6-8-14(10-11)13(16)7-9-17-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1
InChIKeyBVDXEJGCCDRXPH-LLVKDONJSA-N
MW235.28 g/mol
LogP1.05
Rot. Bonds4

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

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 66291437) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
PubChem CID66291437
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO3/c15-11-6-8-14(10-11)13(16)7-9-17-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1
InChIKeyBVDXEJGCCDRXPH-LLVKDONJSA-N
XLogP1.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
4-(4-fluorophenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 79031097
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one (CID 66291437) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is BVDXEJGCCDRXPH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-6-8-14(10-11)13(16)7-9-17-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.05, 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]-3-phenoxypropan-1-one is sourced from PubChem (CID 66291437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).