spiro[1H-2-benzofuran-3,3'-pyrrolidine]

C11H13NO — CID 22012187

IUPACspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKeyCFCYRDQMSMOQMZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.41
Rot. Bonds

About spiro[1H-2-benzofuran-3,3'-pyrrolidine]

spiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 22012187) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID22012187
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKeyCFCYRDQMSMOQMZ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 22012187) is spiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for spiro[1H-2-benzofuran-3,3'-pyrrolidine] is c1ccc2c(c1)COC21CCNC1.
What is the InChIKey of spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is CFCYRDQMSMOQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2.
What are the key properties of spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
spiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 175.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 22012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).