(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole

C10H11NS — CID 167294933

IUPAC(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole
SMILESC/C=c1\c(=C/C)sc2[nH]ccc12
InChIInChI=1S/C10H11NS/c1-3-7-8-5-6-11-10(8)12-9(7)4-2/h3-6,11H,1-2H3/b7-3-,9-4+
InChIKeyZNGREOVUZRYSSA-CITSBAIRSA-N
MW177.27 g/mol
LogP1.83
Rot. Bonds

About (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole

(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole (PubChem CID 167294933) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole
PubChem CID167294933
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole
SMILESC/C=c1\c(=C/C)sc2[nH]ccc12
InChIInChI=1S/C10H11NS/c1-3-7-8-5-6-11-10(8)12-9(7)4-2/h3-6,11H,1-2H3/b7-3-,9-4+
InChIKeyZNGREOVUZRYSSA-CITSBAIRSA-N
XLogP1.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole (CID 167294933) is (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole is C/C=c1\c(=C/C)sc2[nH]ccc12.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole?
The InChIKey is ZNGREOVUZRYSSA-CITSBAIRSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-7-8-5-6-11-10(8)12-9(7)4-2/h3-6,11H,1-2H3/b7-3-,9-4+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole?
(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole has a molecular weight of 177.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 167294933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).