2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

C13H17NO2 — CID 116580394

IUPAC2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(O)c2)CCCN1
InChIInChI=1S/C13H17NO2/c1-13(6-3-7-14-13)12(16)9-10-4-2-5-11(15)8-10/h2,4-5,8,14-15H,3,6-7,9H2,1H3
InChIKeyWEFSWYBCMGETCB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580394) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580394
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(O)c2)CCCN1
InChIInChI=1S/C13H17NO2/c1-13(6-3-7-14-13)12(16)9-10-4-2-5-11(15)8-10/h2,4-5,8,14-15H,3,6-7,9H2,1H3
InChIKeyWEFSWYBCMGETCB-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116614195
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 141351326
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
CID 167990501
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580582
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534
methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270175
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580394) is 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is CC1(C(=O)Cc2cccc(O)c2)CCCN1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is WEFSWYBCMGETCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(6-3-7-14-13)12(16)9-10-4-2-5-11(15)8-10/h2,4-5,8,14-15H,3,6-7,9H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).