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

C13H19NO — CID 112715806

IUPAC6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
SMILESCC1(C)CCc2ccoc2C12CCNC2
InChIInChI=1S/C13H19NO/c1-12(2)5-3-10-4-8-15-11(10)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeySWUUWCHOFYZWJE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds

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

6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine] (PubChem CID 112715806) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine].

Molecular Properties

Compound Name6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
PubChem CID112715806
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
SMILESCC1(C)CCc2ccoc2C12CCNC2
InChIInChI=1S/C13H19NO/c1-12(2)5-3-10-4-8-15-11(10)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeySWUUWCHOFYZWJE-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

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

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Related Compounds

6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]
CID 112715956
5,5-dimethylspiro[6,7-dihydro-1-benzofuran-4,3'-pyrrolidine]
CID 112715807
spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
CID 83906212
7-ethyl-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165469952
7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165477662
spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]
CID 165477658
spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
CID 165478271
(5aS,8aR)-8a-methyl-5,5a,6,7-tetrahydro-4H-cyclopenta[g][1]benzofuran-8-one
CID 101207664
7-cyclobutyl-7-ethyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165477631
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
4-(furan-2-yl)-4-methylpiperidine
CID 83815867
4-methylspiro[5,6-dihydro-4H-furo[3,2-c]pyridine-7,1'-cyclopropane]
CID 84651660

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]?
The IUPAC name of 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine] (CID 112715806) is 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine].
What is the SMILES notation for 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]?
The canonical SMILES for 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine] is CC1(C)CCc2ccoc2C12CCNC2.
What is the InChIKey of 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]?
The InChIKey is SWUUWCHOFYZWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)5-3-10-4-8-15-11(10)13(12)6-7-14-9-13/h4,8,14H,3,5-7,9H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]?
6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-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 6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine] is sourced from PubChem (CID 112715806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).