1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

C18H25NO2 — CID 79539006

IUPAC1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C18H25NO2/c1-13-6-2-3-7-14(13)12-18(21)19-11-5-9-16(19)15-8-4-10-17(15)20/h2-3,6-7,15-17,20H,4-5,8-12H2,1H3
InChIKeyBXQOFQISXZNVRD-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 79539006) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID79539006
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C18H25NO2/c1-13-6-2-3-7-14(13)12-18(21)19-11-5-9-16(19)15-8-4-10-17(15)20/h2-3,6-7,15-17,20H,4-5,8-12H2,1H3
InChIKeyBXQOFQISXZNVRD-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937
1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 129480992
2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 129481116
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
2-[(2S)-1-[2-(2-methylphenyl)acetyl]piperidin-2-yl]acetamide
CID 95293984
[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 100699782
2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 103164795
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (CID 79539006) is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCCC1C1CCCC1O.
What is the InChIKey of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is BXQOFQISXZNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-6-2-3-7-14(13)12-18(21)19-11-5-9-16(19)15-8-4-10-17(15)20/h2-3,6-7,15-17,20H,4-5,8-12H2,1H3.
What are the key properties of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 287.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 79539006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).