(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

C17H23NO2 — CID 103951831

IUPAC(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2)ccc1O
InChIInChI=1S/C17H23NO2/c1-12-11-14(8-9-16(12)19)17(20)18-10-4-7-15(18)13-5-2-3-6-13/h8-9,11,13,15,19H,2-7,10H2,1H3
InChIKeyYGBYCLKZXVTBQK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds2

About (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 103951831) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID103951831
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2)ccc1O
InChIInChI=1S/C17H23NO2/c1-12-11-14(8-9-16(12)19)17(20)18-10-4-7-15(18)13-5-2-3-6-13/h8-9,11,13,15,19H,2-7,10H2,1H3
InChIKeyYGBYCLKZXVTBQK-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 107675736
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-hydroxyphenyl)methanone
CID 107075495
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 67223770
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027342
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 103951831) is (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC2C2CCCC2)ccc1O.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is YGBYCLKZXVTBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-11-14(8-9-16(12)19)17(20)18-10-4-7-15(18)13-5-2-3-6-13/h8-9,11,13,15,19H,2-7,10H2,1H3.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 103951831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).