8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one

C14H22N2O2 — CID 118217508

IUPAC8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESC=C1NC(=O)C2(CCC(C(=O)C(C)(C)C)CC2)N1
InChIInChI=1S/C14H22N2O2/c1-9-15-12(18)14(16-9)7-5-10(6-8-14)11(17)13(2,3)4/h10,16H,1,5-8H2,2-4H3,(H,15,18)
InChIKeyKOJCWRGNVGVPOK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds1

About 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one

8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 118217508) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
PubChem CID118217508
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESC=C1NC(=O)C2(CCC(C(=O)C(C)(C)C)CC2)N1
InChIInChI=1S/C14H22N2O2/c1-9-15-12(18)14(16-9)7-5-10(6-8-14)11(17)13(2,3)4/h10,16H,1,5-8H2,2-4H3,(H,15,18)
InChIKeyKOJCWRGNVGVPOK-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one (CID 118217508) is 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one is C=C1NC(=O)C2(CCC(C(=O)C(C)(C)C)CC2)N1.
What is the InChIKey of 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is KOJCWRGNVGVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-15-12(18)14(16-9)7-5-10(6-8-14)11(17)13(2,3)4/h10,16H,1,5-8H2,2-4H3,(H,15,18).
What are the key properties of 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 118217508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).