4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one

C12H14N2OS — CID 106184667

IUPAC4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CSc3ccccc32)CN1
InChIInChI=1S/C12H14N2OS/c15-12-5-8(6-13-12)14-10-7-16-11-4-2-1-3-9(10)11/h1-4,8,10,14H,5-7H2,(H,13,15)
InChIKeyCYXAWKAXLQLHMI-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.31
Rot. Bonds2

About 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one

4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one (PubChem CID 106184667) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
PubChem CID106184667
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CSc3ccccc32)CN1
InChIInChI=1S/C12H14N2OS/c15-12-5-8(6-13-12)14-10-7-16-11-4-2-1-3-9(10)11/h1-4,8,10,14H,5-7H2,(H,13,15)
InChIKeyCYXAWKAXLQLHMI-UHFFFAOYSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one (CID 106184667) is 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one is O=C1CC(NC2CSc3ccccc32)CN1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one?
The InChIKey is CYXAWKAXLQLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-5-8(6-13-12)14-10-7-16-11-4-2-1-3-9(10)11/h1-4,8,10,14H,5-7H2,(H,13,15).
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one?
4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one has a molecular weight of 234.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106184667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).