1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

C12H14ClNO2 — CID 62941529

IUPAC1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-4-2-1-3-10(11)12(16)8-14-6-5-9(15)7-14/h1-4,9,15H,5-8H2
InChIKeyWPZLYNUVJDEKNN-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62941529) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62941529
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-4-2-1-3-10(11)12(16)8-14-6-5-9(15)7-14/h1-4,9,15H,5-8H2
InChIKeyWPZLYNUVJDEKNN-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106670373
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720
1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680607
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62941529) is 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CN1CCC(O)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is WPZLYNUVJDEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-4-2-1-3-10(11)12(16)8-14-6-5-9(15)7-14/h1-4,9,15H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 239.70 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62941529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).