3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

C19H27NO2 — CID 56742110

IUPAC3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1C1(O)CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H27NO2/c1-15-6-2-5-9-17(15)19(22)12-13-20(14-19)18(21)11-10-16-7-3-4-8-16/h2,5-6,9,16,22H,3-4,7-8,10-14H2,1H3
InChIKeyQXJIPUXWZYABAV-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.39
Rot. Bonds4

About 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 56742110) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID56742110
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1C1(O)CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H27NO2/c1-15-6-2-5-9-17(15)19(22)12-13-20(14-19)18(21)11-10-16-7-3-4-8-16/h2,5-6,9,16,22H,3-4,7-8,10-14H2,1H3
InChIKeyQXJIPUXWZYABAV-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-ethanone
CID 44308861
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclopentyl-2-hydroxy-2-phenyl-ethanone
CID 44308899
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-phenylacetamide
CID 49798129
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
CID 44308799
(R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44308912
N,N-Diethyl-2-((2-hydroxy-2,2-diphenylacetyl)methylamino)-N-methylethanaminium
CID 10520
N-[2-(diethylamino)ethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 200226
US10155733, Strucure 3e
CID 122664612
Tert-butyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 66662569
2-(2-Hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 42884883
1-Cyclopentanecarbonyl-4-phenyl-3-(pyrrolidin-1-YL)piperidin-4-OL
CID 71687067

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 56742110) is 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is Cc1ccccc1C1(O)CCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QXJIPUXWZYABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-15-6-2-5-9-17(15)19(22)12-13-20(14-19)18(21)11-10-16-7-3-4-8-16/h2,5-6,9,16,22H,3-4,7-8,10-14H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 56742110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).