5-thiophen-3-yl-3,4-dihydro-2H-pyrrole

C8H9NS — CID 102544367

IUPAC5-thiophen-3-yl-3,4-dihydro-2H-pyrrole
SMILESc1cc(C2=NCCC2)cs1
InChIInChI=1S/C8H9NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6H,1-2,4H2
InChIKeyFTWXUWWOOXMCMZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.33
Rot. Bonds1

About 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole

5-thiophen-3-yl-3,4-dihydro-2H-pyrrole (PubChem CID 102544367) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-thiophen-3-yl-3,4-dihydro-2H-pyrrole
PubChem CID102544367
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5-thiophen-3-yl-3,4-dihydro-2H-pyrrole
SMILESc1cc(C2=NCCC2)cs1
InChIInChI=1S/C8H9NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6H,1-2,4H2
InChIKeyFTWXUWWOOXMCMZ-UHFFFAOYSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole (CID 102544367) is 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole is c1cc(C2=NCCC2)cs1.
What is the InChIKey of 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is FTWXUWWOOXMCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6H,1-2,4H2.
What are the key properties of 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole?
5-thiophen-3-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 151.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102544367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).