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

C17H20N2O5 — CID 43826827

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C17H20N2O5/c20-13-3-1-2-12(10-13)19-15(21)11-14(16(19)22)18-6-4-17(5-7-18)23-8-9-24-17/h1-3,10,14,20H,4-9,11H2
InChIKeyDFTCUXYKGOZRAK-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.86
Rot. Bonds2

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

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 43826827) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID43826827
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C17H20N2O5/c20-13-3-1-2-12(10-13)19-15(21)11-14(16(19)22)18-6-4-17(5-7-18)23-8-9-24-17/h1-3,10,14,20H,4-9,11H2
InChIKeyDFTCUXYKGOZRAK-UHFFFAOYSA-N
XLogP0.86
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 41002477
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 41474906
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 167795857
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
CID 29101420
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (CID 43826827) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DFTCUXYKGOZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-13-3-1-2-12(10-13)19-15(21)11-14(16(19)22)18-6-4-17(5-7-18)23-8-9-24-17/h1-3,10,14,20H,4-9,11H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 332.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43826827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).