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

C10H19N3O — CID 167345015

IUPAC8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCN1CCC2(CC1)CN(C)C(=O)N2
InChIInChI=1S/C10H19N3O/c1-3-13-6-4-10(5-7-13)8-12(2)9(14)11-10/h3-8H2,1-2H3,(H,11,14)
InChIKeyGZFDITRAJODCGX-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.50
Rot. Bonds1

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

8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 167345015) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID167345015
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCN1CCC2(CC1)CN(C)C(=O)N2
InChIInChI=1S/C10H19N3O/c1-3-13-6-4-10(5-7-13)8-12(2)9(14)11-10/h3-8H2,1-2H3,(H,11,14)
InChIKeyGZFDITRAJODCGX-UHFFFAOYSA-N
XLogP0.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 167345015) is 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one is CCN1CCC2(CC1)CN(C)C(=O)N2.
What is the InChIKey of 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is GZFDITRAJODCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13-6-4-10(5-7-13)8-12(2)9(14)11-10/h3-8H2,1-2H3,(H,11,14).
What are the key properties of 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 167345015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).