pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone

C13H14N2OS — CID 3245590

IUPACpyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCCC1
InChIInChI=1S/C13H14N2OS/c16-13(15-8-3-4-9-15)12-11(5-10-17-12)14-6-1-2-7-14/h1-2,5-7,10H,3-4,8-9H2
InChIKeyVMAGHUFMZMLPJB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.77
Rot. Bonds2

About pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone

pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone (PubChem CID 3245590) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
PubChem CID3245590
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Namepyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCCC1
InChIInChI=1S/C13H14N2OS/c16-13(15-8-3-4-9-15)12-11(5-10-17-12)14-6-1-2-7-14/h1-2,5-7,10H,3-4,8-9H2
InChIKeyVMAGHUFMZMLPJB-UHFFFAOYSA-N
XLogP2.77
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone (CID 3245590) is pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone is O=C(c1sccc1-n1cccc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The InChIKey is VMAGHUFMZMLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-13(15-8-3-4-9-15)12-11(5-10-17-12)14-6-1-2-7-14/h1-2,5-7,10H,3-4,8-9H2.
What are the key properties of pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone has a molecular weight of 246.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 3245590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).