1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C22H24N2O2S — CID 55714290

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2ccsc2)CN1c1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N2O2S/c25-21-12-18(13-24(21)19-7-6-15-3-1-4-16(15)11-19)22(26)23-9-2-5-20(23)17-8-10-27-14-17/h6-8,10-11,14,18,20H,1-5,9,12-13H2
InChIKeyVSJUGBNHJBOPMO-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.95
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 55714290) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID55714290
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2ccsc2)CN1c1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N2O2S/c25-21-12-18(13-24(21)19-7-6-15-3-1-4-16(15)11-19)22(26)23-9-2-5-20(23)17-8-10-27-14-17/h6-8,10-11,14,18,20H,1-5,9,12-13H2
InChIKeyVSJUGBNHJBOPMO-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 55714290) is 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2c2ccsc2)CN1c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VSJUGBNHJBOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-21-12-18(13-24(21)19-7-6-15-3-1-4-16(15)11-19)22(26)23-9-2-5-20(23)17-8-10-27-14-17/h6-8,10-11,14,18,20H,1-5,9,12-13H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 380.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 55714290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).