spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]

C10H13NOS — CID 96622382

IUPACspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
SMILESc1cc2c(s1)NCC21CCOCC1
InChIInChI=1S/C10H13NOS/c1-6-13-9-8(1)10(7-11-9)2-4-12-5-3-10/h1,6,11H,2-5,7H2
InChIKeyULDMFIATUYPHCO-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.22
Rot. Bonds

About spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]

spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] (PubChem CID 96622382) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane].

Molecular Properties

Compound Namespiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
PubChem CID96622382
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namespiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
SMILESc1cc2c(s1)NCC21CCOCC1
InChIInChI=1S/C10H13NOS/c1-6-13-9-8(1)10(7-11-9)2-4-12-5-3-10/h1,6,11H,2-5,7H2
InChIKeyULDMFIATUYPHCO-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The IUPAC name of spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] (CID 96622382) is spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane].
What is the SMILES notation for spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The canonical SMILES for spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] is c1cc2c(s1)NCC21CCOCC1.
What is the InChIKey of spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The InChIKey is ULDMFIATUYPHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-6-13-9-8(1)10(7-11-9)2-4-12-5-3-10/h1,6,11H,2-5,7H2.
What are the key properties of spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] has a molecular weight of 195.29 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] is sourced from PubChem (CID 96622382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).