1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

C15H21NO2 — CID 11311204

IUPAC1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C15H21NO2/c1-2-5-14(16-10-3-4-11-16)15(18)12-6-8-13(17)9-7-12/h6-9,14,17H,2-5,10-11H2,1H3
InChIKeyXCHIECWEKDGHNL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11311204) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11311204
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C15H21NO2/c1-2-5-14(16-10-3-4-11-16)15(18)12-6-8-13(17)9-7-12/h6-9,14,17H,2-5,10-11H2,1H3
InChIKeyXCHIECWEKDGHNL-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thalictroidine
CID 10489834
2-(Pyrrolidin-1-yl)-1-(4-methoxyphenyl)pentan-1-one
CID 11299968
1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10407013
1-(3,4-Dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11219249
1-Propanone, 3-(dimethylamino)-1-(4-hydroxyphenyl)-, hydrochloride (1:1)
CID 200477
4'-Hydroxy-2-(methylamino)acetophenone
CID 88825
1-{3-[(Diethylamino)methyl]-4-hydroxyphenyl}ethan-1-one hydrochloride
CID 9551996
4'-Methoxy-alpha-pyrrolidinopropiophenone
CID 6430836
4-Methoxy-alpha-phpp
CID 102144586
1-(4-Hydroxymethylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11459667
2-Amino-4'-hydroxypropiophenone
CID 86689
N-(2-(4-hydroxyphenyl)-2-oxoethyl)acetamide
CID 20457953

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 11311204) is 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is XCHIECWEKDGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-5-14(16-10-3-4-11-16)15(18)12-6-8-13(17)9-7-12/h6-9,14,17H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11311204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).