3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid

C14H15N3O4 — CID 63260102

IUPAC3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H15N3O4/c18-9-7-14(3-1-2-4-14)8-10(19)17(9)12-11(13(20)21)15-5-6-16-12/h5-6H,1-4,7-8H2,(H,20,21)
InChIKeyKREJBMLOEUGYNU-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.39
Rot. Bonds2

About 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid

3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid (PubChem CID 63260102) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
PubChem CID63260102
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H15N3O4/c18-9-7-14(3-1-2-4-14)8-10(19)17(9)12-11(13(20)21)15-5-6-16-12/h5-6H,1-4,7-8H2,(H,20,21)
InChIKeyKREJBMLOEUGYNU-UHFFFAOYSA-N
XLogP1.39
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid (CID 63260102) is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid?
The InChIKey is KREJBMLOEUGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-9-7-14(3-1-2-4-14)8-10(19)17(9)12-11(13(20)21)15-5-6-16-12/h5-6H,1-4,7-8H2,(H,20,21).
What are the key properties of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid?
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).