5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one

C11H15NOS — CID 104687345

IUPAC5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CC2(C)CCC(=O)N2)s1
InChIInChI=1S/C11H15NOS/c1-8-3-4-9(14-8)7-11(2)6-5-10(13)12-11/h3-4H,5-7H2,1-2H3,(H,12,13)
InChIKeyIXVKSAVJYKTCTH-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.27
Rot. Bonds2

About 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one

5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one (PubChem CID 104687345) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
PubChem CID104687345
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CC2(C)CCC(=O)N2)s1
InChIInChI=1S/C11H15NOS/c1-8-3-4-9(14-8)7-11(2)6-5-10(13)12-11/h3-4H,5-7H2,1-2H3,(H,12,13)
InChIKeyIXVKSAVJYKTCTH-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one (CID 104687345) is 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one is Cc1ccc(CC2(C)CCC(=O)N2)s1.
What is the InChIKey of 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is IXVKSAVJYKTCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-3-4-9(14-8)7-11(2)6-5-10(13)12-11/h3-4H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).