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

C20H26N2O3 — CID 3057860

IUPAC1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCCc3ccccc32)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H26N2O3/c23-18-15-20(8-3-6-16-5-1-2-7-17(16)20)19(24)22(18)10-4-9-21-11-13-25-14-12-21/h1-2,5,7H,3-4,6,8-15H2
InChIKeyXZEDAAVMIJLNJI-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.74
Rot. Bonds4

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

1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 3057860) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID3057860
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCCc3ccccc32)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H26N2O3/c23-18-15-20(8-3-6-16-5-1-2-7-17(16)20)19(24)22(18)10-4-9-21-11-13-25-14-12-21/h1-2,5,7H,3-4,6,8-15H2
InChIKeyXZEDAAVMIJLNJI-UHFFFAOYSA-N
XLogP1.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 3057860) is 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is O=C1CC2(CCCc3ccccc32)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is XZEDAAVMIJLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-15-20(8-3-6-16-5-1-2-7-17(16)20)19(24)22(18)10-4-9-21-11-13-25-14-12-21/h1-2,5,7H,3-4,6,8-15H2.
What are the key properties of 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 342.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 3057860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).