(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C17H23NO3 — CID 110015914

IUPAC(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CCCC2O)C1
InChIInChI=1S/C17H23NO3/c1-21-16-8-3-2-5-13(16)12-9-10-18(11-12)17(20)14-6-4-7-15(14)19/h2-3,5,8,12,14-15,19H,4,6-7,9-11H2,1H3
InChIKeyIUUGEPJEBQAEDR-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.17
Rot. Bonds3

About (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 110015914) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID110015914
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CCCC2O)C1
InChIInChI=1S/C17H23NO3/c1-21-16-8-3-2-5-13(16)12-9-10-18(11-12)17(20)14-6-4-7-15(14)19/h2-3,5,8,12,14-15,19H,4,6-7,9-11H2,1H3
InChIKeyIUUGEPJEBQAEDR-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
(2S)-2-amino-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 84588633
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 110015914) is (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)C2CCCC2O)C1.
What is the InChIKey of (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is IUUGEPJEBQAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-16-8-3-2-5-13(16)12-9-10-18(11-12)17(20)14-6-4-7-15(14)19/h2-3,5,8,12,14-15,19H,4,6-7,9-11H2,1H3.
What are the key properties of (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 289.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110015914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).