3-methyl-1-thiophen-2-ylpyrrole

C9H9NS — CID 86031102

IUPAC3-methyl-1-thiophen-2-ylpyrrole
SMILESCc1ccn(-c2cccs2)c1
InChIInChI=1S/C9H9NS/c1-8-4-5-10(7-8)9-3-2-6-11-9/h2-7H,1H3
InChIKeyNUCZYQLCDXLOPY-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.85
Rot. Bonds1

About 3-methyl-1-thiophen-2-ylpyrrole

3-methyl-1-thiophen-2-ylpyrrole (PubChem CID 86031102) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylpyrrole
PubChem CID86031102
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name3-methyl-1-thiophen-2-ylpyrrole
SMILESCc1ccn(-c2cccs2)c1
InChIInChI=1S/C9H9NS/c1-8-4-5-10(7-8)9-3-2-6-11-9/h2-7H,1H3
InChIKeyNUCZYQLCDXLOPY-UHFFFAOYSA-N
XLogP2.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylpyrrole?
The IUPAC name of 3-methyl-1-thiophen-2-ylpyrrole (CID 86031102) is 3-methyl-1-thiophen-2-ylpyrrole.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylpyrrole?
The canonical SMILES for 3-methyl-1-thiophen-2-ylpyrrole is Cc1ccn(-c2cccs2)c1.
What is the InChIKey of 3-methyl-1-thiophen-2-ylpyrrole?
The InChIKey is NUCZYQLCDXLOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-8-4-5-10(7-8)9-3-2-6-11-9/h2-7H,1H3.
What are the key properties of 3-methyl-1-thiophen-2-ylpyrrole?
3-methyl-1-thiophen-2-ylpyrrole has a molecular weight of 163.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-ylpyrrole is sourced from PubChem (CID 86031102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).