2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one

C13H19NOS — CID 102830879

IUPAC2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1sccc1C(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-10-11(6-9-16-10)12(15)13(2,3)14-7-4-5-8-14/h6,9H,4-5,7-8H2,1-3H3
InChIKeyBLRWJQVQKNDAIU-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one

2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 102830879) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID102830879
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1sccc1C(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-10-11(6-9-16-10)12(15)13(2,3)14-7-4-5-8-14/h6,9H,4-5,7-8H2,1-3H3
InChIKeyBLRWJQVQKNDAIU-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one (CID 102830879) is 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one is Cc1sccc1C(=O)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BLRWJQVQKNDAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-11(6-9-16-10)12(15)13(2,3)14-7-4-5-8-14/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 237.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 102830879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).