2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone

C20H21NO3 — CID 86785890

IUPAC2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
SMILESO=C(CC1CCCN1C(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C20H21NO3/c22-18-10-4-6-15(12-18)13-20(24)21-11-5-9-17(21)14-19(23)16-7-2-1-3-8-16/h1-4,6-8,10,12,17,22H,5,9,11,13-14H2
InChIKeyJZMUSQOICNOMHE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone

2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone (PubChem CID 86785890) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
PubChem CID86785890
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
SMILESO=C(CC1CCCN1C(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C20H21NO3/c22-18-10-4-6-15(12-18)13-20(24)21-11-5-9-17(21)14-19(23)16-7-2-1-3-8-16/h1-4,6-8,10,12,17,22H,5,9,11,13-14H2
InChIKeyJZMUSQOICNOMHE-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
2-(3-hydroxyphenyl)-1-[2-(2-hydroxypropyl)azepan-1-yl]ethanone
CID 79540436
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
CID 136513747
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 97041732
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone (CID 86785890) is 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone is O=C(CC1CCCN1C(=O)Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone?
The InChIKey is JZMUSQOICNOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-18-10-4-6-15(12-18)13-20(24)21-11-5-9-17(21)14-19(23)16-7-2-1-3-8-16/h1-4,6-8,10,12,17,22H,5,9,11,13-14H2.
What are the key properties of 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone?
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone has a molecular weight of 323.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 86785890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).