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

C11H15NOS — CID 96614889

IUPAC2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
SMILESCc1cc2c(s1)NCC21CCOCC1
InChIInChI=1S/C11H15NOS/c1-8-6-9-10(14-8)12-7-11(9)2-4-13-5-3-11/h6,12H,2-5,7H2,1H3
InChIKeyVXXXKGRBZHDOGY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.53
Rot. Bonds

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

2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] (PubChem CID 96614889) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane].

Molecular Properties

Compound Name2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
PubChem CID96614889
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
SMILESCc1cc2c(s1)NCC21CCOCC1
InChIInChI=1S/C11H15NOS/c1-8-6-9-10(14-8)12-7-11(9)2-4-13-5-3-11/h6,12H,2-5,7H2,1H3
InChIKeyVXXXKGRBZHDOGY-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The IUPAC name of 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] (CID 96614889) is 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane].
What is the SMILES notation for 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The canonical SMILES for 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] is Cc1cc2c(s1)NCC21CCOCC1.
What is the InChIKey of 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
The InChIKey is VXXXKGRBZHDOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-6-9-10(14-8)12-7-11(9)2-4-13-5-3-11/h6,12H,2-5,7H2,1H3.
What are the key properties of 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]?
2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] has a molecular weight of 209.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane] is sourced from PubChem (CID 96614889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).