spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione

C13H13NO2 — CID 3062432

IUPACspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc3C2)C(=O)N1
InChIInChI=1S/C13H13NO2/c15-11-8-13(12(16)14-11)6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H,14,15,16)
InChIKeyPLEYVXJVPUTVOC-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.21
Rot. Bonds

About spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione

spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 3062432) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID3062432
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namespiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc3C2)C(=O)N1
InChIInChI=1S/C13H13NO2/c15-11-8-13(12(16)14-11)6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H,14,15,16)
InChIKeyPLEYVXJVPUTVOC-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione (CID 3062432) is spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione is O=C1CC2(CCc3ccccc3C2)C(=O)N1.
What is the InChIKey of spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is PLEYVXJVPUTVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-11-8-13(12(16)14-11)6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H,14,15,16).
What are the key properties of spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione?
spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 215.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 3062432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).