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

C16H23NO2 — CID 112677416

IUPAC1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C16H23NO2/c1-2-16(19)14-9-3-4-10-15(14)17-11-5-7-13(17)8-6-12-18/h3-4,9-10,13,18H,2,5-8,11-12H2,1H3
InChIKeyWPQNIOBHQMVCAH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds6

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

1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one (PubChem CID 112677416) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
PubChem CID112677416
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C16H23NO2/c1-2-16(19)14-9-3-4-10-15(14)17-11-5-7-13(17)8-6-12-18/h3-4,9-10,13,18H,2,5-8,11-12H2,1H3
InChIKeyWPQNIOBHQMVCAH-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]propan-1-one
CID 102726715
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methylbenzoic acid
CID 55082983
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458
1-[2-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469359
3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467578
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
methyl 5-amino-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 62479452
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one (CID 112677416) is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCCC1CCCO.
What is the InChIKey of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one?
The InChIKey is WPQNIOBHQMVCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-16(19)14-9-3-4-10-15(14)17-11-5-7-13(17)8-6-12-18/h3-4,9-10,13,18H,2,5-8,11-12H2,1H3.
What are the key properties of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one?
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 112677416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).