1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone

C12H14ClNO3 — CID 106670373

IUPAC1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CC(O)C(O)C1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-9-4-2-1-3-8(9)10(15)5-14-6-11(16)12(17)7-14/h1-4,11-12,16-17H,5-7H2
InChIKeyNJSDSVFHRDZUIW-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.56
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone

1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone (PubChem CID 106670373) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
PubChem CID106670373
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CC(O)C(O)C1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-9-4-2-1-3-8(9)10(15)5-14-6-11(16)12(17)7-14/h1-4,11-12,16-17H,5-7H2
InChIKeyNJSDSVFHRDZUIW-UHFFFAOYSA-N
XLogP0.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64575368
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 55151442
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone (CID 106670373) is 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone is O=C(CN1CC(O)C(O)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The InChIKey is NJSDSVFHRDZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-4-2-1-3-8(9)10(15)5-14-6-11(16)12(17)7-14/h1-4,11-12,16-17H,5-7H2.
What are the key properties of 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone has a molecular weight of 255.70 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 106670373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).