(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione

C14H13NO4 — CID 24788122

IUPAC(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione
SMILESO=C1C[C@]2(OCCC2=O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c16-11-6-7-19-14(11)8-12(17)15(13(14)18)9-10-4-2-1-3-5-10/h1-5H,6-9H2/t14-/m1/s1
InChIKeyKANSJQXUGYWTEZ-CQSZACIVSA-N
MW259.26 g/mol
LogP0.67
Rot. Bonds2

About (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione

(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione (PubChem CID 24788122) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione.

Molecular Properties

Compound Name(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione
PubChem CID24788122
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione
SMILESO=C1C[C@]2(OCCC2=O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c16-11-6-7-19-14(11)8-12(17)15(13(14)18)9-10-4-2-1-3-5-10/h1-5H,6-9H2/t14-/m1/s1
InChIKeyKANSJQXUGYWTEZ-CQSZACIVSA-N
XLogP0.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-benzyl-1-Oxa-7-azaspiro[4.4]nonane-4,6,8-trione
CID 73013667
7-Benzyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6,8-trione
CID 101849601
(3aR,6aS)-5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
CID 139215241
(3aS,6aR)-5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
CID 139215242
3-Benzyl-1-(2,2,2-trifluoroethoxy)-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 155971060
5-Benzyl-hexahydro-2H-furo[2,3-C]pyrrole-4,6-dione
CID 162343393
[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] 3-oxobutanoate
CID 11961702
(1-Benzyl-2,5-dioxopyrrolidin-3-yl) hexanoate
CID 15266340
(1-Benzyl-2,5-dioxopyrrolidin-3-yl) 3-oxobutanoate
CID 19350259
Oxolan-2-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 42940601
1-Benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
5-Benzyl-2,2-dimethyl-3,3a,4,6a-tetrahydrofuro[2,3-c]pyrrol-6-one
CID 144483679

Frequently Asked Questions

What is the IUPAC name of (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione?
The IUPAC name of (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione (CID 24788122) is (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione.
What is the SMILES notation for (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione?
The canonical SMILES for (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione is O=C1C[C@]2(OCCC2=O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione?
The InChIKey is KANSJQXUGYWTEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13NO4/c16-11-6-7-19-14(11)8-12(17)15(13(14)18)9-10-4-2-1-3-5-10/h1-5H,6-9H2/t14-/m1/s1.
What are the key properties of (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione?
(5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione has a molecular weight of 259.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-benzyl-1-oxa-7-azaspiro[4.4]nonane-4,6,8-trione is sourced from PubChem (CID 24788122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).