1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one

C10H9ClINO2 — CID 168703303

IUPAC1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)ccc1I
InChIInChI=1S/C10H9ClINO2/c11-6-1-2-8(12)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeyLWHMLBWTPXKZEF-UHFFFAOYSA-N
MW337.54 g/mol
LogP2.04
Rot. Bonds1

About 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one

1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703303) has the molecular formula C10H9ClINO2 and a molecular weight of 337.54 g/mol. Its IUPAC name is 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703303
Molecular FormulaC10H9ClINO2
Molecular Weight337.54 g/mol
Exact Mass336.94
IUPAC Name1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)ccc1I
InChIInChI=1S/C10H9ClINO2/c11-6-1-2-8(12)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeyLWHMLBWTPXKZEF-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703507
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-(chloromethyl)-1-(2-iodo-5-methylphenyl)pyrrolidin-2-one
CID 168507760
1-(5-bromo-2-iodophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508723
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one (CID 168703303) is 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cc(Cl)ccc1I.
What is the InChIKey of 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is LWHMLBWTPXKZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO2/c11-6-1-2-8(12)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2.
What are the key properties of 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one?
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 337.54 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).