(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone

C11H14INOS — CID 130576271

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1sccc1I
InChIInChI=1S/C11H14INOS/c1-11(2)5-3-6-13(11)10(14)9-8(12)4-7-15-9/h4,7H,3,5-6H2,1-2H3
InChIKeyOINOMSDIHUVGRL-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.37
Rot. Bonds1

About (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone (PubChem CID 130576271) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone
PubChem CID130576271
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1sccc1I
InChIInChI=1S/C11H14INOS/c1-11(2)5-3-6-13(11)10(14)9-8(12)4-7-15-9/h4,7H,3,5-6H2,1-2H3
InChIKeyOINOMSDIHUVGRL-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.37
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

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 130765889
4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 113263155
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874812
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63215793
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 116665932

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone (CID 130576271) is (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone is CC1(C)CCCN1C(=O)c1sccc1I.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone?
The InChIKey is OINOMSDIHUVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS/c1-11(2)5-3-6-13(11)10(14)9-8(12)4-7-15-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone has a molecular weight of 335.21 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone is sourced from PubChem (CID 130576271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).