2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

C11H21N3O — CID 145391092

IUPAC2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O.C2H6/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9;1-2/h3-6H2,1-2H3,(H,10,11,13);1-2H3
InChIKeyFNWGCRIXKANEEE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.03
Rot. Bonds

About 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (PubChem CID 145391092) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.

Molecular Properties

Compound Name2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
PubChem CID145391092
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O.C2H6/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9;1-2/h3-6H2,1-2H3,(H,10,11,13);1-2H3
InChIKeyFNWGCRIXKANEEE-UHFFFAOYSA-N
XLogP1.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
Ethyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50950780
Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
8-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 95047136
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Methyl-8-(4,4,4-trifluorobutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145937615
2-Butyl-8-(3-fluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592411
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
2,3,5,6,7,8-Hexahydro-2-oxoimidazo[1,2-a]pyridine-3-spiro-4'-piperidine
CID 13002715
8-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622667

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The IUPAC name of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (CID 145391092) is 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.
What is the SMILES notation for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The canonical SMILES for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is CC.CC1=NC2(CCN(C)CC2)C(=O)N1.
What is the InChIKey of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The InChIKey is FNWGCRIXKANEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9;1-2/h3-6H2,1-2H3,(H,10,11,13);1-2H3.
What are the key properties of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane has a molecular weight of 211.31 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is sourced from PubChem (CID 145391092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).