1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one

C10H13NOS — CID 83831046

IUPAC1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one
SMILESCc1ccc(C2C(=O)CCN2C)s1
InChIInChI=1S/C10H13NOS/c1-7-3-4-9(13-7)10-8(12)5-6-11(10)2/h3-4,10H,5-6H2,1-2H3
InChIKeyNWROYPOUYFGURN-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.00
Rot. Bonds1

About 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one

1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one (PubChem CID 83831046) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one
PubChem CID83831046
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one
SMILESCc1ccc(C2C(=O)CCN2C)s1
InChIInChI=1S/C10H13NOS/c1-7-3-4-9(13-7)10-8(12)5-6-11(10)2/h3-4,10H,5-6H2,1-2H3
InChIKeyNWROYPOUYFGURN-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one?
The IUPAC name of 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one (CID 83831046) is 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one?
The canonical SMILES for 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one is Cc1ccc(C2C(=O)CCN2C)s1.
What is the InChIKey of 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one?
The InChIKey is NWROYPOUYFGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-3-4-9(13-7)10-8(12)5-6-11(10)2/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one?
1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one has a molecular weight of 195.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one is sourced from PubChem (CID 83831046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).