2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

C13H16ClNO2 — CID 103727404

IUPAC2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO2/c1-13(17)6-7-15(9-13)12(16)8-10-4-2-3-5-11(10)14/h2-5,17H,6-9H2,1H3
InChIKeyURDNHHCGTOZLGK-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.87
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 103727404) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
PubChem CID103727404
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO2/c1-13(17)6-7-15(9-13)12(16)8-10-4-2-3-5-11(10)14/h2-5,17H,6-9H2,1H3
InChIKeyURDNHHCGTOZLGK-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfanyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103730599
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146039419
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
2-(2,3-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874892
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 103730598
2-(2,4-dimethoxyphenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727352

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (CID 103727404) is 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is CC1(O)CCN(C(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is URDNHHCGTOZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-13(17)6-7-15(9-13)12(16)8-10-4-2-3-5-11(10)14/h2-5,17H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103727404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).