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

C9H15N3O — CID 20622667

IUPAC8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C9H15N3O/c1-2-12-5-3-9(4-6-12)8(13)10-7-11-9/h7H,2-6H2,1H3,(H,10,11,13)
InChIKeyQFUNVLCYOVXJIO-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.00
Rot. Bonds1

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

8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 20622667) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID20622667
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C9H15N3O/c1-2-12-5-3-9(4-6-12)8(13)10-7-11-9/h7H,2-6H2,1H3,(H,10,11,13)
InChIKeyQFUNVLCYOVXJIO-UHFFFAOYSA-N
XLogP-0.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Ethyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622674
2,8-Dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097503
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097505
1,3,8-Triazaspiro[4.5]dec-1-en-4-one
CID 22975579
3-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22975678
2-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 50944317
2-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 57908087
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-Tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66827413
4-Oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
CID 67440682
Tert-butyl 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 67440963
8-Methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70079644

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 20622667) is 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN1CCC2(CC1)N=CNC2=O.
What is the InChIKey of 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is QFUNVLCYOVXJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-5-3-9(4-6-12)8(13)10-7-11-9/h7H,2-6H2,1H3,(H,10,11,13).
What are the key properties of 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 20622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).