1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione

C15H25NO3 — CID 88752849

IUPAC1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)N1CC(C)(C)COC12CCCCC2
InChIInChI=1S/C15H25NO3/c1-12(17)9-13(18)16-10-14(2,3)11-19-15(16)7-5-4-6-8-15/h4-11H2,1-3H3
InChIKeyIGHWGEIUWDICOG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds2

About 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione

1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione (PubChem CID 88752849) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione.

Molecular Properties

Compound Name1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
PubChem CID88752849
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)N1CC(C)(C)COC12CCCCC2
InChIInChI=1S/C15H25NO3/c1-12(17)9-13(18)16-10-14(2,3)11-19-15(16)7-5-4-6-8-15/h4-11H2,1-3H3
InChIKeyIGHWGEIUWDICOG-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
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

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CID 127751208
1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)
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1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285
4-[(1-hydroxycyclohexyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 132775545
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 11109342
cerium;pentane-2,4-dione;hydrate
CID 86734909
methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate
CID 94036888
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione?
The IUPAC name of 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione (CID 88752849) is 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione.
What is the SMILES notation for 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione?
The canonical SMILES for 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione is CC(=O)CC(=O)N1CC(C)(C)COC12CCCCC2.
What is the InChIKey of 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione?
The InChIKey is IGHWGEIUWDICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(17)9-13(18)16-10-14(2,3)11-19-15(16)7-5-4-6-8-15/h4-11H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione?
1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione has a molecular weight of 267.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione is sourced from PubChem (CID 88752849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).