3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C15H23NO3 — CID 5309002

IUPAC3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C15H23NO3/c1-9(2)16-13(17)12-11(4)14(18)19-15(12)7-5-10(3)6-8-15/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyJQSPNYQBLYXVFX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds2

About 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 5309002) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID5309002
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C15H23NO3/c1-9(2)16-13(17)12-11(4)14(18)19-15(12)7-5-10(3)6-8-15/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyJQSPNYQBLYXVFX-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 5309002) is 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is JQSPNYQBLYXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)16-13(17)12-11(4)14(18)19-15(12)7-5-10(3)6-8-15/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 265.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 5309002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).