2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide

C12H18N2O3 — CID 4500586

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H18N2O3/c1-13-9(15)8-14-10(16)6-12(7-11(14)17)4-2-3-5-12/h2-8H2,1H3,(H,13,15)
InChIKeyMLFPDQHCMVEWRE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds2

About 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide (PubChem CID 4500586) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
PubChem CID4500586
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H18N2O3/c1-13-9(15)8-14-10(16)6-12(7-11(14)17)4-2-3-5-12/h2-8H2,1H3,(H,13,15)
InChIKeyMLFPDQHCMVEWRE-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
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 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide (CID 4500586) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide is CNC(=O)CN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide?
The InChIKey is MLFPDQHCMVEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-9(15)8-14-10(16)6-12(7-11(14)17)4-2-3-5-12/h2-8H2,1H3,(H,13,15).
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide is sourced from PubChem (CID 4500586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).