2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide

C10H13NO4 — CID 163629049

IUPAC2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
SMILESO=NC(=O)CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H13NO4/c12-9(11-13)7-8-1-3-10(4-2-8)14-5-6-15-10/h1H,2-7H2
InChIKeyHUMTVERDTJADDW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.52
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide (PubChem CID 163629049) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
PubChem CID163629049
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
SMILESO=NC(=O)CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H13NO4/c12-9(11-13)7-8-1-3-10(4-2-8)14-5-6-15-10/h1H,2-7H2
InChIKeyHUMTVERDTJADDW-UHFFFAOYSA-N
XLogP1.52
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide (CID 163629049) is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide is O=NC(=O)CC1=CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide?
The InChIKey is HUMTVERDTJADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-9(11-13)7-8-1-3-10(4-2-8)14-5-6-15-10/h1H,2-7H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide?
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide has a molecular weight of 211.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide is sourced from PubChem (CID 163629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).