(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole

C11H15NS — CID 91177580

IUPAC(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole
SMILESCC/C=C1\Cc2sc(C)cc2N1C
InChIInChI=1S/C11H15NS/c1-4-5-9-7-11-10(12(9)3)6-8(2)13-11/h5-6H,4,7H2,1-3H3/b9-5+
InChIKeyKSLORKGIAQRREK-WEVVVXLNSA-N
MW193.31 g/mol
LogP3.34
Rot. Bonds1

About (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole

(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole (PubChem CID 91177580) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole
PubChem CID91177580
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole
SMILESCC/C=C1\Cc2sc(C)cc2N1C
InChIInChI=1S/C11H15NS/c1-4-5-9-7-11-10(12(9)3)6-8(2)13-11/h5-6H,4,7H2,1-3H3/b9-5+
InChIKeyKSLORKGIAQRREK-WEVVVXLNSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole?
The IUPAC name of (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole (CID 91177580) is (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole.
What is the SMILES notation for (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole?
The canonical SMILES for (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole is CC/C=C1\Cc2sc(C)cc2N1C.
What is the InChIKey of (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole?
The InChIKey is KSLORKGIAQRREK-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-5-9-7-11-10(12(9)3)6-8(2)13-11/h5-6H,4,7H2,1-3H3/b9-5+.
What are the key properties of (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole?
(5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole has a molecular weight of 193.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,4-dimethyl-5-propylidene-6H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 91177580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).