3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C10H17N3O — CID 22097505

IUPAC3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1C=NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C10H17N3O/c1-3-13-8-11-10(9(13)14)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3
InChIKeyBLSUNHNPQHEFGK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds1

About 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 22097505) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID22097505
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1C=NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C10H17N3O/c1-3-13-8-11-10(9(13)14)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3
InChIKeyBLSUNHNPQHEFGK-UHFFFAOYSA-N
XLogP0.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-8-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472
2-Butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592509
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592102
2-Butyl-8-(3-fluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592411
8-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622667
8-Ethyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622674
3-Ethyl-2-ethylsulfanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097501
3-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22975678
Methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 118000982
3-((1-(Cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131742302

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 22097505) is 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN1C=NC2(CCN(C)CC2)C1=O.
What is the InChIKey of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BLSUNHNPQHEFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13-8-11-10(9(13)14)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 22097505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).