pyrrolidin-1-yl(thiophen-3-yl)methanone

C9H11NOS — CID 12926531

IUPACpyrrolidin-1-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCCC1
InChIInChI=1S/C9H11NOS/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7H,1-2,4-5H2
InChIKeyDPTMLBYTVOPWET-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.98
Rot. Bonds1

About pyrrolidin-1-yl(thiophen-3-yl)methanone

pyrrolidin-1-yl(thiophen-3-yl)methanone (PubChem CID 12926531) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is pyrrolidin-1-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(thiophen-3-yl)methanone
PubChem CID12926531
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Namepyrrolidin-1-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCCC1
InChIInChI=1S/C9H11NOS/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7H,1-2,4-5H2
InChIKeyDPTMLBYTVOPWET-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(thiophen-3-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(thiophen-3-yl)methanone (CID 12926531) is pyrrolidin-1-yl(thiophen-3-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(thiophen-3-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(thiophen-3-yl)methanone?
The InChIKey is DPTMLBYTVOPWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl(thiophen-3-yl)methanone?
pyrrolidin-1-yl(thiophen-3-yl)methanone has a molecular weight of 181.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 12926531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).