(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride

C11H9ClINO2 — CID 99988733

IUPAC(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)[C@H]1CC(=O)N(c2cccc(I)c2)C1
InChIInChI=1S/C11H9ClINO2/c12-11(16)7-4-10(15)14(6-7)9-3-1-2-8(13)5-9/h1-3,5,7H,4,6H2/t7-/m0/s1
InChIKeyUWJOGCPVPQPSIA-ZETCQYMHSA-N
MW349.56 g/mol
LogP2.41
Rot. Bonds2

About (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride

(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride (PubChem CID 99988733) has the molecular formula C11H9ClINO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
PubChem CID99988733
Molecular FormulaC11H9ClINO2
Molecular Weight349.56 g/mol
Exact Mass348.94
IUPAC Name(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)[C@H]1CC(=O)N(c2cccc(I)c2)C1
InChIInChI=1S/C11H9ClINO2/c12-11(16)7-4-10(15)14(6-7)9-3-1-2-8(13)5-9/h1-3,5,7H,4,6H2/t7-/m0/s1
InChIKeyUWJOGCPVPQPSIA-ZETCQYMHSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 50874068
(3S)-1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94076341
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50874050
(3S)-1-(4-carbonochloridoylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 98128605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879370
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879672
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride?
The IUPAC name of (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride (CID 99988733) is (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride.
What is the SMILES notation for (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride?
The canonical SMILES for (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride is O=C(Cl)[C@H]1CC(=O)N(c2cccc(I)c2)C1.
What is the InChIKey of (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride?
The InChIKey is UWJOGCPVPQPSIA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9ClINO2/c12-11(16)7-4-10(15)14(6-7)9-3-1-2-8(13)5-9/h1-3,5,7H,4,6H2/t7-/m0/s1.
What are the key properties of (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride?
(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride has a molecular weight of 349.56 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 99988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).