(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate

C16H25NO3 — CID 54008647

IUPAC(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate
SMILESCC1=C(OC(=O)C(C)(C)C)C2(CCC(C)CC2)NC1=O
InChIInChI=1S/C16H25NO3/c1-10-6-8-16(9-7-10)12(11(2)13(18)17-16)20-14(19)15(3,4)5/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyKQSHZBABVARUBS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.93
Rot. Bonds1

About (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate

(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate (PubChem CID 54008647) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate
PubChem CID54008647
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate
SMILESCC1=C(OC(=O)C(C)(C)C)C2(CCC(C)CC2)NC1=O
InChIInChI=1S/C16H25NO3/c1-10-6-8-16(9-7-10)12(11(2)13(18)17-16)20-14(19)15(3,4)5/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyKQSHZBABVARUBS-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

ethyl [3-(4-methoxy-2,6-dimethylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 59930864
[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
CID 143985864
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
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[3-(2,6-diethyl-4-methylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59538243
4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium
CID 59226740
8-methyl-1-azaspiro[4.5]decan-4-one
CID 83826980
(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate
CID 134170381
8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
CID 118217508
3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 143485126
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169

Frequently Asked Questions

What is the IUPAC name of (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate?
The IUPAC name of (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate (CID 54008647) is (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate is CC1=C(OC(=O)C(C)(C)C)C2(CCC(C)CC2)NC1=O.
What is the InChIKey of (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate?
The InChIKey is KQSHZBABVARUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10-6-8-16(9-7-10)12(11(2)13(18)17-16)20-14(19)15(3,4)5/h10H,6-9H2,1-5H3,(H,17,18).
What are the key properties of (3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate?
(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 2.93, 1 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-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 54008647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).