5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one

C17H23NO — CID 66107860

IUPAC5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
SMILESCCC1NC(=O)CC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23NO/c1-4-14-17(11-15(19)18-14)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyKLEIYGMTOSXFJV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds1

About 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one

5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one (PubChem CID 66107860) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
PubChem CID66107860
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
SMILESCCC1NC(=O)CC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23NO/c1-4-14-17(11-15(19)18-14)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyKLEIYGMTOSXFJV-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one?
The IUPAC name of 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one (CID 66107860) is 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one?
The canonical SMILES for 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one is CCC1NC(=O)CC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one?
The InChIKey is KLEIYGMTOSXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-17(11-15(19)18-14)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one?
5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one has a molecular weight of 257.38 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 66107860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).