3-methyl-3-thiophen-2-ylpyrrolidine

C9H13NS — CID 62355172

IUPAC3-methyl-3-thiophen-2-ylpyrrolidine
SMILESCC1(c2cccs2)CCNC1
InChIInChI=1S/C9H13NS/c1-9(4-5-10-7-9)8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyBVARGGODINZOIS-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.00
Rot. Bonds1

About 3-methyl-3-thiophen-2-ylpyrrolidine

3-methyl-3-thiophen-2-ylpyrrolidine (PubChem CID 62355172) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-methyl-3-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methyl-3-thiophen-2-ylpyrrolidine
PubChem CID62355172
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-methyl-3-thiophen-2-ylpyrrolidine
SMILESCC1(c2cccs2)CCNC1
InChIInChI=1S/C9H13NS/c1-9(4-5-10-7-9)8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyBVARGGODINZOIS-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-thiophen-2-ylpyrrolidine?
The IUPAC name of 3-methyl-3-thiophen-2-ylpyrrolidine (CID 62355172) is 3-methyl-3-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 3-methyl-3-thiophen-2-ylpyrrolidine?
The canonical SMILES for 3-methyl-3-thiophen-2-ylpyrrolidine is CC1(c2cccs2)CCNC1.
What is the InChIKey of 3-methyl-3-thiophen-2-ylpyrrolidine?
The InChIKey is BVARGGODINZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-9(4-5-10-7-9)8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 3-methyl-3-thiophen-2-ylpyrrolidine?
3-methyl-3-thiophen-2-ylpyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 62355172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).