1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

C12H13Cl2NO2 — CID 129368588

IUPAC1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(CN1CC[C@H](O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-8-1-2-10(11(14)5-8)12(17)7-15-4-3-9(16)6-15/h1-2,5,9,16H,3-4,6-7H2/t9-/m0/s1
InChIKeyVEHAYWQPVYCSPV-VIFPVBQESA-N
MW274.15 g/mol
LogP2.24
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 129368588) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID129368588
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(CN1CC[C@H](O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-8-1-2-10(11(14)5-8)12(17)7-15-4-3-9(16)6-15/h1-2,5,9,16H,3-4,6-7H2/t9-/m0/s1
InChIKeyVEHAYWQPVYCSPV-VIFPVBQESA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
1-[5-[2,6-dichloro-N-(difluoromethyl)-4-fluoroanilino]-2-fluorophenyl]-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 45102075
1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
CID 45052844
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 129368588) is 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(CN1CC[C@H](O)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is VEHAYWQPVYCSPV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-8-1-2-10(11(14)5-8)12(17)7-15-4-3-9(16)6-15/h1-2,5,9,16H,3-4,6-7H2/t9-/m0/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 274.15 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129368588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).