2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole

C9H11NS — CID 139455900

IUPAC2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole
SMILESCC1CC=C(C2=NC=CC2)S1
InChIInChI=1S/C9H11NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2,5-7H,3-4H2,1H3
InChIKeyVWQREQYXYIESLS-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.75
Rot. Bonds1

About 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole

2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole (PubChem CID 139455900) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole
PubChem CID139455900
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole
SMILESCC1CC=C(C2=NC=CC2)S1
InChIInChI=1S/C9H11NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2,5-7H,3-4H2,1H3
InChIKeyVWQREQYXYIESLS-UHFFFAOYSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole?
The IUPAC name of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole (CID 139455900) is 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole.
What is the SMILES notation for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole?
The canonical SMILES for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole is CC1CC=C(C2=NC=CC2)S1.
What is the InChIKey of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole?
The InChIKey is VWQREQYXYIESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2,5-7H,3-4H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole?
2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole has a molecular weight of 165.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole is sourced from PubChem (CID 139455900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).