2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole

C10H13NS — CID 130558797

IUPAC2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole
SMILESCc1cc(CC2C=CCN2)cs1
InChIInChI=1S/C10H13NS/c1-8-5-9(7-12-8)6-10-3-2-4-11-10/h2-3,5,7,10-11H,4,6H2,1H3
InChIKeyZUHOGMZFJWQZNM-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.13
Rot. Bonds2

About 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole

2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole (PubChem CID 130558797) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole
PubChem CID130558797
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole
SMILESCc1cc(CC2C=CCN2)cs1
InChIInChI=1S/C10H13NS/c1-8-5-9(7-12-8)6-10-3-2-4-11-10/h2-3,5,7,10-11H,4,6H2,1H3
InChIKeyZUHOGMZFJWQZNM-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole (CID 130558797) is 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole is Cc1cc(CC2C=CCN2)cs1.
What is the InChIKey of 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole?
The InChIKey is ZUHOGMZFJWQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-5-9(7-12-8)6-10-3-2-4-11-10/h2-3,5,7,10-11H,4,6H2,1H3.
What are the key properties of 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole?
2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole has a molecular weight of 179.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 130558797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).