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

C16H21NO2 — CID 115511250

IUPAC6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(c1)CC1(CC2)CC(=O)NC1(C)C
InChIInChI=1S/C16H21NO2/c1-15(2)16(10-14(18)17-15)7-6-11-4-5-13(19-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyWXHJTCAZKRQWKI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.47
Rot. Bonds1

About 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one

6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one (PubChem CID 115511250) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
PubChem CID115511250
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(c1)CC1(CC2)CC(=O)NC1(C)C
InChIInChI=1S/C16H21NO2/c1-15(2)16(10-14(18)17-15)7-6-11-4-5-13(19-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyWXHJTCAZKRQWKI-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The IUPAC name of 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one (CID 115511250) is 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one is COc1ccc2c(c1)CC1(CC2)CC(=O)NC1(C)C.
What is the InChIKey of 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
The InChIKey is WXHJTCAZKRQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-15(2)16(10-14(18)17-15)7-6-11-4-5-13(19-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one?
6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one has a molecular weight of 259.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 115511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).