(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one

C12H17NOS — CID 166448430

IUPAC(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one
SMILESCC(C)[C@H](c1cccs1)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H17NOS/c1-8(2)12(10-4-3-7-15-10)9-5-6-11(14)13-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,13,14)/t9-,12-/m0/s1
InChIKeyPNXRYLWQTFEQIL-CABZTGNLSA-N
MW223.34 g/mol
LogP2.77
Rot. Bonds3

About (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one

(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one (PubChem CID 166448430) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one
PubChem CID166448430
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one
SMILESCC(C)[C@H](c1cccs1)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H17NOS/c1-8(2)12(10-4-3-7-15-10)9-5-6-11(14)13-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,13,14)/t9-,12-/m0/s1
InChIKeyPNXRYLWQTFEQIL-CABZTGNLSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one (CID 166448430) is (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one is CC(C)[C@H](c1cccs1)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one?
The InChIKey is PNXRYLWQTFEQIL-CABZTGNLSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8(2)12(10-4-3-7-15-10)9-5-6-11(14)13-9/h3-4,7-9,12H,5-6H2,1-2H3,(H,13,14)/t9-,12-/m0/s1.
What are the key properties of (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one?
(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one has a molecular weight of 223.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 166448430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).