1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid

C16H23NO4 — CID 61290848

IUPAC1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)CC(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H23NO4/c18-12-10-15(6-4-5-7-15)11-13(19)17(12)16(14(20)21)8-2-1-3-9-16/h1-11H2,(H,20,21)
InChIKeyPJXGXLOYAXTMMS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.48
Rot. Bonds2

About 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid

1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid (PubChem CID 61290848) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid
PubChem CID61290848
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)CC(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H23NO4/c18-12-10-15(6-4-5-7-15)11-13(19)17(12)16(14(20)21)8-2-1-3-9-16/h1-11H2,(H,20,21)
InChIKeyPJXGXLOYAXTMMS-UHFFFAOYSA-N
XLogP2.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid (CID 61290848) is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid is O=C1CC2(CCCC2)CC(=O)N1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid?
The InChIKey is PJXGXLOYAXTMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-12-10-15(6-4-5-7-15)11-13(19)17(12)16(14(20)21)8-2-1-3-9-16/h1-11H2,(H,20,21).
What are the key properties of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid?
1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).