4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one

C11H11ClINO — CID 168688338

IUPAC4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(Cl)CC2=O)c1I
InChIInChI=1S/C11H11ClINO/c1-7-3-2-4-9(11(7)13)14-6-8(12)5-10(14)15/h2-4,8H,5-6H2,1H3
InChIKeyIGQYDITYEIGGSM-UHFFFAOYSA-N
MW335.57 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one

4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one (PubChem CID 168688338) has the molecular formula C11H11ClINO and a molecular weight of 335.57 g/mol. Its IUPAC name is 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
PubChem CID168688338
Molecular FormulaC11H11ClINO
Molecular Weight335.57 g/mol
Exact Mass334.96
IUPAC Name4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(Cl)CC2=O)c1I
InChIInChI=1S/C11H11ClINO/c1-7-3-2-4-9(11(7)13)14-6-8(12)5-10(14)15/h2-4,8H,5-6H2,1H3
InChIKeyIGQYDITYEIGGSM-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
4-chloro-1-[2-(hydroxymethyl)-6-methylphenyl]pyrrolidin-2-one
CID 168688327
4-chloro-1-(2-propan-2-ylsulfanylphenyl)pyrrolidin-2-one
CID 168687317
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one (CID 168688338) is 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2CC(Cl)CC2=O)c1I.
What is the InChIKey of 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is IGQYDITYEIGGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO/c1-7-3-2-4-9(11(7)13)14-6-8(12)5-10(14)15/h2-4,8H,5-6H2,1H3.
What are the key properties of 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one?
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 335.57 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168688338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).