4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide

C9H12N2O2S — CID 66352409

IUPAC4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccsc1)C1CC(O)CN1
InChIInChI=1S/C9H12N2O2S/c12-7-3-8(10-4-7)9(13)11-6-1-2-14-5-6/h1-2,5,7-8,10,12H,3-4H2,(H,11,13)
InChIKeyULVIVSSCBLKXAV-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.41
Rot. Bonds2

About 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide

4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide (PubChem CID 66352409) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide
PubChem CID66352409
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccsc1)C1CC(O)CN1
InChIInChI=1S/C9H12N2O2S/c12-7-3-8(10-4-7)9(13)11-6-1-2-14-5-6/h1-2,5,7-8,10,12H,3-4H2,(H,11,13)
InChIKeyULVIVSSCBLKXAV-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide (CID 66352409) is 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide is O=C(Nc1ccsc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide?
The InChIKey is ULVIVSSCBLKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-7-3-8(10-4-7)9(13)11-6-1-2-14-5-6/h1-2,5,7-8,10,12H,3-4H2,(H,11,13).
What are the key properties of 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide?
4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66352409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).