1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one

C15H21NO2 — CID 114798027

IUPAC1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H21NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,17H,2,7-11H2,1H3
InChIKeyJUTOFSIRVYSMKI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one

1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one (PubChem CID 114798027) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
PubChem CID114798027
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H21NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,17H,2,7-11H2,1H3
InChIKeyJUTOFSIRVYSMKI-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 115994624
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
CID 112677439
1-[5-bromo-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 114798037
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one (CID 114798027) is 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCC(CCO)C1.
What is the InChIKey of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The InChIKey is JUTOFSIRVYSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one?
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 114798027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).