3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C17H19FN2O4 — CID 17020092

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4/c18-12-1-3-13(4-2-12)20-15(21)11-14(16(20)22)19-7-5-17(6-8-19)23-9-10-24-17/h1-4,14H,5-11H2
InChIKeyHRWAGAGMKDNFGY-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.30
Rot. Bonds2

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 17020092) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID17020092
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4/c18-12-1-3-13(4-2-12)20-15(21)11-14(16(20)22)19-7-5-17(6-8-19)23-9-10-24-17/h1-4,14H,5-11H2
InChIKeyHRWAGAGMKDNFGY-UHFFFAOYSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 17020092) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is HRWAGAGMKDNFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-1-3-13(4-2-12)20-15(21)11-14(16(20)22)19-7-5-17(6-8-19)23-9-10-24-17/h1-4,14H,5-11H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 334.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 17020092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).