9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione

C15H17NO3 — CID 163249873

IUPAC9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione
SMILESO=C1CC(=O)C2(CCOC2)CN1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c17-13-8-14(18)16(9-12-4-2-1-3-5-12)10-15(13)6-7-19-11-15/h1-5H,6-11H2
InChIKeyOLJKVGLCEBEUAQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.39
Rot. Bonds2

About 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione

9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione (PubChem CID 163249873) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione
PubChem CID163249873
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione
SMILESO=C1CC(=O)C2(CCOC2)CN1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c17-13-8-14(18)16(9-12-4-2-1-3-5-12)10-15(13)6-7-19-11-15/h1-5H,6-11H2
InChIKeyOLJKVGLCEBEUAQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 9-benzyl-6,8-dioxo-2-oxa-9-azaspiro[4.5]decane-7-carboxylate
CID 163249838
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
4-benzyl-1,4-oxazepan-3-one
CID 46318286
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
CID 14964087
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
CID 102589034
4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 57087301
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
CID 99107501

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione?
The IUPAC name of 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione (CID 163249873) is 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione is O=C1CC(=O)C2(CCOC2)CN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione?
The InChIKey is OLJKVGLCEBEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-8-14(18)16(9-12-4-2-1-3-5-12)10-15(13)6-7-19-11-15/h1-5H,6-11H2.
What are the key properties of 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione?
9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione has a molecular weight of 259.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 163249873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).