5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

C15H21NO2 — CID 79199360

IUPAC5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESO=C(CCCCO)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO2/c17-12-5-4-10-15(18)16-11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,17H,4-6,9-12H2
InChIKeyLQRYVKLSOBJUQM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds5

About 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (PubChem CID 79199360) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
PubChem CID79199360
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESO=C(CCCCO)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO2/c17-12-5-4-10-15(18)16-11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,17H,4-6,9-12H2
InChIKeyLQRYVKLSOBJUQM-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
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CID 119737777
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
CID 51318885
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
1-[(2S)-2-phenylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 30664822
1-(2-phenylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 42940608
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 86951408
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (CID 79199360) is 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is O=C(CCCCO)N1CCCC1c1ccccc1.
What is the InChIKey of 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is LQRYVKLSOBJUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-12-5-4-10-15(18)16-11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,17H,4-6,9-12H2.
What are the key properties of 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 79199360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).