1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one

C15H18N2OS — CID 65475357

IUPAC1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(c2ccc3sccc3c2)C1=O
InChIInChI=1S/C15H18N2OS/c1-10(2)16-13-5-7-17(15(13)18)12-3-4-14-11(9-12)6-8-19-14/h3-4,6,8-10,13,16H,5,7H2,1-2H3
InChIKeyHSAPBOIYNYRUTM-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one

1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 65475357) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID65475357
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(c2ccc3sccc3c2)C1=O
InChIInChI=1S/C15H18N2OS/c1-10(2)16-13-5-7-17(15(13)18)12-3-4-14-11(9-12)6-8-19-14/h3-4,6,8-10,13,16H,5,7H2,1-2H3
InChIKeyHSAPBOIYNYRUTM-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one (CID 65475357) is 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one is CC(C)NC1CCN(c2ccc3sccc3c2)C1=O.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is HSAPBOIYNYRUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)16-13-5-7-17(15(13)18)12-3-4-14-11(9-12)6-8-19-14/h3-4,6,8-10,13,16H,5,7H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 274.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 65475357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).