3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one

C14H23NO3 — CID 20720092

IUPAC3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one
SMILESCCC(=O)N1C(=O)C(C)(C)COC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-4-11(16)15-12(17)13(2,3)10-18-14(15)8-6-5-7-9-14/h4-10H2,1-3H3
InChIKeyLZKXHGUICLSNKV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.47
Rot. Bonds1

About 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one

3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one (PubChem CID 20720092) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one
PubChem CID20720092
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one
SMILESCCC(=O)N1C(=O)C(C)(C)COC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-4-11(16)15-12(17)13(2,3)10-18-14(15)8-6-5-7-9-14/h4-10H2,1-3H3
InChIKeyLZKXHGUICLSNKV-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
CID 88752849
2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one
CID 101492826
5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 17383221
2,2-dimethylcyclohexan-1-one;propanoic acid
CID 70117547
5,5-diethyl-1-propanoylpyrrolidin-2-one
CID 18325720
4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42669895
2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid
CID 67900626
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)
CID 142188932
3-(2-hydroxybutyl)-2,2,4,4,19-pentamethyl-7-oxa-3,19-diazadispiro[5.1.108.26]icosan-20-one
CID 59088121
1-ethyl-3,3-dimethylpiperidin-2-one
CID 89133568

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one?
The IUPAC name of 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one (CID 20720092) is 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one is CCC(=O)N1C(=O)C(C)(C)COC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one?
The InChIKey is LZKXHGUICLSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-11(16)15-12(17)13(2,3)10-18-14(15)8-6-5-7-9-14/h4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one?
3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one has a molecular weight of 253.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 20720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).