(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C11H11Cl2NO3 — CID 106671362

IUPAC(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C11H11Cl2NO3/c12-6-1-2-7(8(13)3-6)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2
InChIKeyMAZZCSICPYWGLV-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.17
Rot. Bonds1

About (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671362) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671362
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C11H11Cl2NO3/c12-6-1-2-7(8(13)3-6)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2
InChIKeyMAZZCSICPYWGLV-UHFFFAOYSA-N
XLogP1.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(4-chloro-2-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671006
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671362) is (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CC(O)C(O)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is MAZZCSICPYWGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-6-1-2-7(8(13)3-6)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2.
What are the key properties of (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 276.12 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).