4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one

C10H19N3O — CID 167731155

IUPAC4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCNCC2)CNC1=O
InChIInChI=1S/C10H19N3O/c1-2-13-8-10(7-12-9(13)14)3-5-11-6-4-10/h11H,2-8H2,1H3,(H,12,14)
InChIKeyZASJJIQHZWGMIY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.40
Rot. Bonds1

About 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one

4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one (PubChem CID 167731155) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
PubChem CID167731155
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCNCC2)CNC1=O
InChIInChI=1S/C10H19N3O/c1-2-13-8-10(7-12-9(13)14)3-5-11-6-4-10/h11H,2-8H2,1H3,(H,12,14)
InChIKeyZASJJIQHZWGMIY-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one (CID 167731155) is 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one is CCN1CC2(CCNCC2)CNC1=O.
What is the InChIKey of 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one?
The InChIKey is ZASJJIQHZWGMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-13-8-10(7-12-9(13)14)3-5-11-6-4-10/h11H,2-8H2,1H3,(H,12,14).
What are the key properties of 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one?
4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 167731155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).