5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one

C15H19NO — CID 66108929

IUPAC5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
SMILESCC1(C)NC(=O)CC12CCc1ccccc1C2
InChIInChI=1S/C15H19NO/c1-14(2)15(10-13(17)16-14)8-7-11-5-3-4-6-12(11)9-15/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyOYRJHMZOWZNLRC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.46
Rot. Bonds

About 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one

5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one (PubChem CID 66108929) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
PubChem CID66108929
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
SMILESCC1(C)NC(=O)CC12CCc1ccccc1C2
InChIInChI=1S/C15H19NO/c1-14(2)15(10-13(17)16-14)8-7-11-5-3-4-6-12(11)9-15/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyOYRJHMZOWZNLRC-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The IUPAC name of 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one (CID 66108929) is 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one is CC1(C)NC(=O)CC12CCc1ccccc1C2.
What is the InChIKey of 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The InChIKey is OYRJHMZOWZNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-14(2)15(10-13(17)16-14)8-7-11-5-3-4-6-12(11)9-15/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one has a molecular weight of 229.32 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 66108929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).