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

C13H23N3O — CID 170412173

IUPAC2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCNCC2)C(=O)N1CC
InChIInChI=1S/C13H23N3O/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2/h14H,3-10H2,1-2H3
InChIKeyJVLQDGZQZRMLMS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.56
Rot. Bonds4

About 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170412173) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170412173
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCNCC2)C(=O)N1CC
InChIInChI=1S/C13H23N3O/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2/h14H,3-10H2,1-2H3
InChIKeyJVLQDGZQZRMLMS-UHFFFAOYSA-N
XLogP1.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170412173) is 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCNCC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is JVLQDGZQZRMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2/h14H,3-10H2,1-2H3.
What are the key properties of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170412173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).