1-(thiophen-2-ylmethyl)pyrrole

C9H9NS — CID 2804470

IUPAC1-(thiophen-2-ylmethyl)pyrrole
SMILESc1csc(Cn2cccc2)c1
InChIInChI=1S/C9H9NS/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKeyDRZFDGBYLWYHMU-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.60
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)pyrrole

1-(thiophen-2-ylmethyl)pyrrole (PubChem CID 2804470) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrole
PubChem CID2804470
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name1-(thiophen-2-ylmethyl)pyrrole
SMILESc1csc(Cn2cccc2)c1
InChIInChI=1S/C9H9NS/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKeyDRZFDGBYLWYHMU-UHFFFAOYSA-N
XLogP2.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole (CID 2804470) is 1-(thiophen-2-ylmethyl)pyrrole.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrole?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrole is c1csc(Cn2cccc2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrole?
The InChIKey is DRZFDGBYLWYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2.
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrole?
1-(thiophen-2-ylmethyl)pyrrole has a molecular weight of 163.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrole is sourced from PubChem (CID 2804470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).