10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide

C13H18N2O3 — CID 3567005

IUPAC10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide
SMILESCC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCC2
InChIInChI=1S/C13H18N2O3/c1-7-9(8(2)16)13(5-3-4-6-13)10(11(14)17)12(18)15-7/h10H,3-6H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyZWQLHSYTAMMHQH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.64
Rot. Bonds2

About 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide

10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide (PubChem CID 3567005) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide.

Molecular Properties

Compound Name10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide
PubChem CID3567005
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide
SMILESCC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCC2
InChIInChI=1S/C13H18N2O3/c1-7-9(8(2)16)13(5-3-4-6-13)10(11(14)17)12(18)15-7/h10H,3-6H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyZWQLHSYTAMMHQH-UHFFFAOYSA-N
XLogP0.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide?
The IUPAC name of 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide (CID 3567005) is 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide.
What is the SMILES notation for 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide?
The canonical SMILES for 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide is CC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCC2.
What is the InChIKey of 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide?
The InChIKey is ZWQLHSYTAMMHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-7-9(8(2)16)13(5-3-4-6-13)10(11(14)17)12(18)15-7/h10H,3-6H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide?
10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-9-methyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6-carboxamide is sourced from PubChem (CID 3567005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).