5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione

C12H15NO2S — CID 123154585

IUPAC5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)c2cc(CC)sc2C1=O
InChIInChI=1S/C12H15NO2S/c1-3-5-6-13-11(14)9-7-8(4-2)16-10(9)12(13)15/h7H,3-6H2,1-2H3
InChIKeyKIEDDRUAXRMCQJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.71
Rot. Bonds4

About 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione

5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione (PubChem CID 123154585) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione
PubChem CID123154585
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)c2cc(CC)sc2C1=O
InChIInChI=1S/C12H15NO2S/c1-3-5-6-13-11(14)9-7-8(4-2)16-10(9)12(13)15/h7H,3-6H2,1-2H3
InChIKeyKIEDDRUAXRMCQJ-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thieno[2,3-c]pyrrole-4,6-dione
CID 102204376
5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
5-octyl-2-(5-thiophen-2-ylthiophen-2-yl)thieno[2,3-c]pyrrole-4,6-dione
CID 102447564
5-butyl-2-[7-[5-[7-(5-hexylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thieno[2,3-c]pyrrole-4,6-dione
CID 90175800
CID 158047542
CID 158047542
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036
5-[5-[5-(1,3-dioxo-2-pentylisoindol-5-yl)thiophen-2-yl]thiophen-2-yl]-2-pentylisoindole-1,3-dione
CID 132566520
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
CID 102432668
5-amino-2-decylisoindole-1,3-dione
CID 132514130
2-butyl-5-(methylamino)isoindole-1,3-dione
CID 117006264
CID 57006910
CID 57006910

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione?
The IUPAC name of 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione (CID 123154585) is 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione is CCCCN1C(=O)c2cc(CC)sc2C1=O.
What is the InChIKey of 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione?
The InChIKey is KIEDDRUAXRMCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-5-6-13-11(14)9-7-8(4-2)16-10(9)12(13)15/h7H,3-6H2,1-2H3.
What are the key properties of 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione?
5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione has a molecular weight of 237.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 123154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).