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

C13H19NO — CID 112715807

IUPAC5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]
SMILESCC1(C)CCc2occc2C12CCNC2
InChIInChI=1S/C13H19NO/c1-12(2)5-3-11-10(4-8-15-11)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyQLWVWENYQDBNND-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds

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

5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine] (PubChem CID 112715807) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine].

Molecular Properties

Compound Name5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]
PubChem CID112715807
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]
SMILESCC1(C)CCc2occc2C12CCNC2
InChIInChI=1S/C13H19NO/c1-12(2)5-3-11-10(4-8-15-11)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyQLWVWENYQDBNND-UHFFFAOYSA-N
XLogP2.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]?
The IUPAC name of 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine] (CID 112715807) is 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine].
What is the SMILES notation for 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]?
The canonical SMILES for 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine] is CC1(C)CCc2occc2C12CCNC2.
What is the InChIKey of 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]?
The InChIKey is QLWVWENYQDBNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)5-3-11-10(4-8-15-11)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]?
5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine] has a molecular weight of 205.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine] is sourced from PubChem (CID 112715807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).