2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine

C13H17NS — CID 176832174

IUPAC2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine
SMILESCN1CCCC1/C=C1\CCc2sccc21
InChIInChI=1S/C13H17NS/c1-14-7-2-3-11(14)9-10-4-5-13-12(10)6-8-15-13/h6,8-9,11H,2-5,7H2,1H3/b10-9+
InChIKeyIIVYLWCSZLZGSZ-MDZDMXLPSA-N
MW219.35 g/mol
LogP3.17
Rot. Bonds1

About 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine

2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine (PubChem CID 176832174) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine
PubChem CID176832174
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine
SMILESCN1CCCC1/C=C1\CCc2sccc21
InChIInChI=1S/C13H17NS/c1-14-7-2-3-11(14)9-10-4-5-13-12(10)6-8-15-13/h6,8-9,11H,2-5,7H2,1H3/b10-9+
InChIKeyIIVYLWCSZLZGSZ-MDZDMXLPSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine (CID 176832174) is 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine is CN1CCCC1/C=C1\CCc2sccc21.
What is the InChIKey of 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine?
The InChIKey is IIVYLWCSZLZGSZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H17NS/c1-14-7-2-3-11(14)9-10-4-5-13-12(10)6-8-15-13/h6,8-9,11H,2-5,7H2,1H3/b10-9+.
What are the key properties of 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine?
2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine is sourced from PubChem (CID 176832174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).