1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one

C14H17NOS — CID 79349638

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC2CSc3ccccc32)C1
InChIInChI=1S/C14H17NOS/c1-10-6-14(16)15(7-10)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,10-11H,6-9H2,1H3
InChIKeyYYEUARZJDCOTTG-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one (PubChem CID 79349638) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one
PubChem CID79349638
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC2CSc3ccccc32)C1
InChIInChI=1S/C14H17NOS/c1-10-6-14(16)15(7-10)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,10-11H,6-9H2,1H3
InChIKeyYYEUARZJDCOTTG-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 113421218
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 79312047
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 79349643
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpiperazine-2,3-dione
CID 79348509
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79221528
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513812
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 79318724
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 79215655
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethyl-5-methylpyrrolidine
CID 83218679

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one (CID 79349638) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one is CC1CC(=O)N(CC2CSc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one?
The InChIKey is YYEUARZJDCOTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-6-14(16)15(7-10)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one has a molecular weight of 247.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 79349638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).