spiro[2H-1-benzothiophene-3,3'-pyrrole]

C11H9NS — CID 171383568

IUPACspiro[2H-1-benzothiophene-3,3'-pyrrole]
SMILESC1=CC2(C=N1)CSc1ccccc12
InChIInChI=1S/C11H9NS/c1-2-4-10-9(3-1)11(8-13-10)5-6-12-7-11/h1-7H,8H2
InChIKeyICVRXQGZOFQBCX-UHFFFAOYSA-N
MW187.27 g/mol
LogP2.63
Rot. Bonds

About spiro[2H-1-benzothiophene-3,3'-pyrrole]

spiro[2H-1-benzothiophene-3,3'-pyrrole] (PubChem CID 171383568) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is spiro[2H-1-benzothiophene-3,3'-pyrrole].

Molecular Properties

Compound Namespiro[2H-1-benzothiophene-3,3'-pyrrole]
PubChem CID171383568
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Namespiro[2H-1-benzothiophene-3,3'-pyrrole]
SMILESC1=CC2(C=N1)CSc1ccccc12
InChIInChI=1S/C11H9NS/c1-2-4-10-9(3-1)11(8-13-10)5-6-12-7-11/h1-7H,8H2
InChIKeyICVRXQGZOFQBCX-UHFFFAOYSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-1-benzothiophene-3,3'-pyrrole]?
The IUPAC name of spiro[2H-1-benzothiophene-3,3'-pyrrole] (CID 171383568) is spiro[2H-1-benzothiophene-3,3'-pyrrole].
What is the SMILES notation for spiro[2H-1-benzothiophene-3,3'-pyrrole]?
The canonical SMILES for spiro[2H-1-benzothiophene-3,3'-pyrrole] is C1=CC2(C=N1)CSc1ccccc12.
What is the InChIKey of spiro[2H-1-benzothiophene-3,3'-pyrrole]?
The InChIKey is ICVRXQGZOFQBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-4-10-9(3-1)11(8-13-10)5-6-12-7-11/h1-7H,8H2.
What are the key properties of spiro[2H-1-benzothiophene-3,3'-pyrrole]?
spiro[2H-1-benzothiophene-3,3'-pyrrole] has a molecular weight of 187.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-1-benzothiophene-3,3'-pyrrole] is sourced from PubChem (CID 171383568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).