(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone

C15H14INOS — CID 78949928

IUPAC(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C15H14INOS/c16-14-9-12(10-19-14)15(18)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2
InChIKeyGFQMGCPUAGPKML-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.33
Rot. Bonds2

About (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone

(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 78949928) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID78949928
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC Name(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C15H14INOS/c16-14-9-12(10-19-14)15(18)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2
InChIKeyGFQMGCPUAGPKML-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylpyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 51325402
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(4,5-dibromothiophen-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42932859
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
tert-butyl (2R)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 81002522
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 78949928) is (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1csc(I)c1)N1CCCC1c1ccccc1.
What is the InChIKey of (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is GFQMGCPUAGPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c16-14-9-12(10-19-14)15(18)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2.
What are the key properties of (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 383.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 78949928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).