1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one

C15H12INO2S — CID 79685754

IUPAC1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)c1csc(I)c1
InChIInChI=1S/C15H12INO2S/c16-13-8-11(9-20-13)15(19)10-3-5-12(6-4-10)17-7-1-2-14(17)18/h3-6,8-9H,1-2,7H2
InChIKeyRADHTTIEOCZOIB-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.71
Rot. Bonds3

About 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 79685754) has the molecular formula C15H12INO2S and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID79685754
Molecular FormulaC15H12INO2S
Molecular Weight397.24 g/mol
Exact Mass396.96
IUPAC Name1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)c1csc(I)c1
InChIInChI=1S/C15H12INO2S/c16-13-8-11(9-20-13)15(19)10-3-5-12(6-4-10)17-7-1-2-14(17)18/h3-6,8-9H,1-2,7H2
InChIKeyRADHTTIEOCZOIB-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
CID 81121521
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228
1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 138538803
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-cyanoethyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 4030036
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one (CID 79685754) is 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)c1csc(I)c1.
What is the InChIKey of 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is RADHTTIEOCZOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO2S/c16-13-8-11(9-20-13)15(19)10-3-5-12(6-4-10)17-7-1-2-14(17)18/h3-6,8-9H,1-2,7H2.
What are the key properties of 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 397.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 79685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).