spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]

C11H15NO — CID 83906212

IUPACspiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
SMILESc1cc2c(o1)C1(CCC2)CCNC1
InChIInChI=1S/C11H15NO/c1-2-9-3-7-13-10(9)11(4-1)5-6-12-8-11/h3,7,12H,1-2,4-6,8H2
InChIKeyQZTSZJGACWQKEY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.85
Rot. Bonds

About spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]

spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine] (PubChem CID 83906212) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
PubChem CID83906212
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namespiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
SMILESc1cc2c(o1)C1(CCC2)CCNC1
InChIInChI=1S/C11H15NO/c1-2-9-3-7-13-10(9)11(4-1)5-6-12-8-11/h3,7,12H,1-2,4-6,8H2
InChIKeyQZTSZJGACWQKEY-UHFFFAOYSA-N
XLogP1.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]?
The IUPAC name of spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine] (CID 83906212) is spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine].
What is the SMILES notation for spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]?
The canonical SMILES for spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine] is c1cc2c(o1)C1(CCC2)CCNC1.
What is the InChIKey of spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]?
The InChIKey is QZTSZJGACWQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-9-3-7-13-10(9)11(4-1)5-6-12-8-11/h3,7,12H,1-2,4-6,8H2.
What are the key properties of spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]?
spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine] has a molecular weight of 177.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine] is sourced from PubChem (CID 83906212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).