2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole

C13H11NOS — CID 10944238

IUPAC2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole
SMILESCn1cc(-c2cccs2)cc1-c1ccco1
InChIInChI=1S/C13H11NOS/c1-14-9-10(13-5-3-7-16-13)8-11(14)12-4-2-6-15-12/h2-9H,1H3
InChIKeySQRVUYZLLOQBBK-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.01
Rot. Bonds2

About 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole

2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole (PubChem CID 10944238) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole
PubChem CID10944238
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole
SMILESCn1cc(-c2cccs2)cc1-c1ccco1
InChIInChI=1S/C13H11NOS/c1-14-9-10(13-5-3-7-16-13)8-11(14)12-4-2-6-15-12/h2-9H,1H3
InChIKeySQRVUYZLLOQBBK-UHFFFAOYSA-N
XLogP4.01
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
3-[1-(2-furylmethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid
CID 894312
2-(Furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46229578
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole?
The IUPAC name of 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole (CID 10944238) is 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole.
What is the SMILES notation for 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole?
The canonical SMILES for 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole is Cn1cc(-c2cccs2)cc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole?
The InChIKey is SQRVUYZLLOQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-14-9-10(13-5-3-7-16-13)8-11(14)12-4-2-6-15-12/h2-9H,1H3.
What are the key properties of 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole?
2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole has a molecular weight of 229.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole is sourced from PubChem (CID 10944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).