2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one

C10H19N3O — CID 15231631

IUPAC2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCN1NC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C10H19N3O/c1-3-13-9(14)8-10(11-13)4-6-12(2)7-5-10/h11H,3-8H2,1-2H3
InChIKeyLUOXUVHCRINTKN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds1

About 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one

2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 15231631) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID15231631
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCN1NC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C10H19N3O/c1-3-13-9(14)8-10(11-13)4-6-12(2)7-5-10/h11H,3-8H2,1-2H3
InChIKeyLUOXUVHCRINTKN-UHFFFAOYSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 57426043
2,8-Dimethyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 10442369
1,2,8-Trimethyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 15231630
3-Oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 22386691
1,2,8-Triazaspiro[4.5]decan-3-one
CID 22386738
1-Butyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride
CID 23109434
1-Butyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 23109435
(3R)-1-tert-butylpiperidine-3-carbohydrazide
CID 67516967
2,8-Dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride
CID 67893367
Tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 71145324
2-Methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 89310977
8-Methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 90821646

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 15231631) is 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one is CCN1NC2(CCN(C)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is LUOXUVHCRINTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13-9(14)8-10(11-13)4-6-12(2)7-5-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 15231631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).