1-[(5-ethylthiophen-2-yl)methyl]pyrrole

C11H13NS — CID 63810482

IUPAC1-[(5-ethylthiophen-2-yl)methyl]pyrrole
SMILESCCc1ccc(Cn2cccc2)s1
InChIInChI=1S/C11H13NS/c1-2-10-5-6-11(13-10)9-12-7-3-4-8-12/h3-8H,2,9H2,1H3
InChIKeyOJWBVFRIBNJRPO-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.16
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]pyrrole

1-[(5-ethylthiophen-2-yl)methyl]pyrrole (PubChem CID 63810482) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]pyrrole.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]pyrrole
PubChem CID63810482
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]pyrrole
SMILESCCc1ccc(Cn2cccc2)s1
InChIInChI=1S/C11H13NS/c1-2-10-5-6-11(13-10)9-12-7-3-4-8-12/h3-8H,2,9H2,1H3
InChIKeyOJWBVFRIBNJRPO-UHFFFAOYSA-N
XLogP3.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]pyrrole?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]pyrrole (CID 63810482) is 1-[(5-ethylthiophen-2-yl)methyl]pyrrole.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]pyrrole?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]pyrrole is CCc1ccc(Cn2cccc2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]pyrrole?
The InChIKey is OJWBVFRIBNJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-10-5-6-11(13-10)9-12-7-3-4-8-12/h3-8H,2,9H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]pyrrole?
1-[(5-ethylthiophen-2-yl)methyl]pyrrole has a molecular weight of 191.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]pyrrole is sourced from PubChem (CID 63810482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).