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

C13H17NO2 — CID 61400367

IUPAC2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C13H17NO2/c1-10-4-3-7-14(10)13(16)9-11-5-2-6-12(15)8-11/h2,5-6,8,10,15H,3-4,7,9H2,1H3
InChIKeyJVBOFAPSNBTCJM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.95
Rot. Bonds2

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

2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 61400367) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID61400367
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C13H17NO2/c1-10-4-3-7-14(10)13(16)9-11-5-2-6-12(15)8-11/h2,5-6,8,10,15H,3-4,7,9H2,1H3
InChIKeyJVBOFAPSNBTCJM-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
2-(3,4-diaminophenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 21294525
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
CID 86785890
1-[(2S)-2-methylpiperidin-1-yl]-2-(3-pyrimidin-5-ylphenyl)ethanone
CID 176809698
2-(3-hydroxyphenyl)-1-[2-(2-hydroxypropyl)azepan-1-yl]ethanone
CID 79540436
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
2-[3-(5-fluoropyrimidin-2-yl)phenyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176809700

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone (CID 61400367) is 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone is CC1CCCN1C(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is JVBOFAPSNBTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-4-3-7-14(10)13(16)9-11-5-2-6-12(15)8-11/h2,5-6,8,10,15H,3-4,7,9H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 61400367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).