(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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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).