1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone

C17H23NO2 — CID 78916994

IUPAC1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC1C1CCCC1
InChIInChI=1S/C17H23NO2/c19-16-10-4-3-8-14(16)12-17(20)18-11-5-9-15(18)13-6-1-2-7-13/h3-4,8,10,13,15,19H,1-2,5-7,9,11-12H2
InChIKeyYHIVSMSHUYWCLM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds3

About 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone

1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 78916994) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID78916994
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC1C1CCCC1
InChIInChI=1S/C17H23NO2/c19-16-10-4-3-8-14(16)12-17(20)18-11-5-9-15(18)13-6-1-2-7-13/h3-4,8,10,13,15,19H,1-2,5-7,9,11-12H2
InChIKeyYHIVSMSHUYWCLM-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740437
2-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110871977
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 94637149
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 51336206
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-[2-(aminomethyl)phenoxy]ethanone
CID 65319049

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 78916994) is 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone is O=C(Cc1ccccc1O)N1CCCC1C1CCCC1.
What is the InChIKey of 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is YHIVSMSHUYWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16-10-4-3-8-14(16)12-17(20)18-11-5-9-15(18)13-6-1-2-7-13/h3-4,8,10,13,15,19H,1-2,5-7,9,11-12H2.
What are the key properties of 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 78916994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).