4-thiophen-2-ylpyrrolidine-3-carboxamide

C9H12N2OS — CID 175830204

IUPAC4-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CNCC1c1cccs1
InChIInChI=1S/C9H12N2OS/c10-9(12)7-5-11-4-6(7)8-2-1-3-13-8/h1-3,6-7,11H,4-5H2,(H2,10,12)
InChIKeySEEWDARQDLLNOQ-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.54
Rot. Bonds2

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

4-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 175830204) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID175830204
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name4-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CNCC1c1cccs1
InChIInChI=1S/C9H12N2OS/c10-9(12)7-5-11-4-6(7)8-2-1-3-13-8/h1-3,6-7,11H,4-5H2,(H2,10,12)
InChIKeySEEWDARQDLLNOQ-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 4-thiophen-2-ylpyrrolidine-3-carboxamide (CID 175830204) is 4-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-thiophen-2-ylpyrrolidine-3-carboxamide is NC(=O)C1CNCC1c1cccs1.
What is the InChIKey of 4-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SEEWDARQDLLNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-9(12)7-5-11-4-6(7)8-2-1-3-13-8/h1-3,6-7,11H,4-5H2,(H2,10,12).
What are the key properties of 4-thiophen-2-ylpyrrolidine-3-carboxamide?
4-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175830204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).