3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

C10H13NOS — CID 3024921

IUPAC3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1CC(Cc2cccs2)NC1=O
InChIInChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)
InChIKeyWMFWNCRXGCDGSS-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 3024921) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID3024921
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1CC(Cc2cccs2)NC1=O
InChIInChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)
InChIKeyWMFWNCRXGCDGSS-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 3024921) is 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is CC1CC(Cc2cccs2)NC1=O.
What is the InChIKey of 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is WMFWNCRXGCDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 3024921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).