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

C13H17NO2 — CID 70896720

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO2/c1-10(15)13(11-5-3-2-4-6-11)14-8-7-12(16)9-14/h2-6,12-13,16H,7-9H2,1H3/t12-,13?/m1/s1
InChIKeyMOVVECYNVJWXEG-PZORYLMUSA-N
MW219.28 g/mol
LogP1.38
Rot. Bonds3

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

1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one (PubChem CID 70896720) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
PubChem CID70896720
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17NO2/c1-10(15)13(11-5-3-2-4-6-11)14-8-7-12(16)9-14/h2-6,12-13,16H,7-9H2,1H3/t12-,13?/m1/s1
InChIKeyMOVVECYNVJWXEG-PZORYLMUSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
CID 89077825
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
(1S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenylbutan-2-one
CID 67725215
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one (CID 70896720) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one is CC(=O)C(c1ccccc1)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one?
The InChIKey is MOVVECYNVJWXEG-PZORYLMUSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)13(11-5-3-2-4-6-11)14-8-7-12(16)9-14/h2-6,12-13,16H,7-9H2,1H3/t12-,13?/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.38, 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]-1-phenylpropan-2-one is sourced from PubChem (CID 70896720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).