3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione

C12H17NO2 — CID 70843699

IUPAC3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCCC1=C(C)C2(CCC(=O)CC2)NC1=O
InChIInChI=1S/C12H17NO2/c1-3-10-8(2)12(13-11(10)15)6-4-9(14)5-7-12/h3-7H2,1-2H3,(H,13,15)
InChIKeyHSDLKNAOQRIEDF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.72
Rot. Bonds1

About 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione

3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione (PubChem CID 70843699) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione
PubChem CID70843699
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCCC1=C(C)C2(CCC(=O)CC2)NC1=O
InChIInChI=1S/C12H17NO2/c1-3-10-8(2)12(13-11(10)15)6-4-9(14)5-7-12/h3-7H2,1-2H3,(H,13,15)
InChIKeyHSDLKNAOQRIEDF-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The IUPAC name of 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione (CID 70843699) is 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione.
What is the SMILES notation for 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The canonical SMILES for 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione is CCC1=C(C)C2(CCC(=O)CC2)NC1=O.
What is the InChIKey of 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The InChIKey is HSDLKNAOQRIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10-8(2)12(13-11(10)15)6-4-9(14)5-7-12/h3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione?
3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione has a molecular weight of 207.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione is sourced from PubChem (CID 70843699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).