5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C13H18N2O2S — CID 4139790

IUPAC5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyUNQAWXDDNJNDOV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.76
Rot. Bonds4

About 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4139790) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4139790
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyUNQAWXDDNJNDOV-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 4139790) is 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NCc1cccs1.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UNQAWXDDNJNDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4139790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).