3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one

C11H15NOS — CID 164646289

IUPAC3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1C(=O)NCC1(C)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-8-10(13)12-7-11(8,2)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyNCOGNYTWVRIDLX-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.06
Rot. Bonds2

About 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one

3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 164646289) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID164646289
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1C(=O)NCC1(C)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-8-10(13)12-7-11(8,2)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyNCOGNYTWVRIDLX-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228639
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CID 114277193
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 104679380
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one
CID 75436316
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 164646289) is 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one is CC1C(=O)NCC1(C)Cc1cccs1.
What is the InChIKey of 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is NCOGNYTWVRIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-10(13)12-7-11(8,2)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one?
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 164646289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).