3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

C15H19N3O — CID 23602561

IUPAC3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=NC3(CCNCC3)NC2=O)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(9-11(10)2)13-14(19)18-15(17-13)5-7-16-8-6-15/h3-4,9,16H,5-8H2,1-2H3,(H,18,19)
InChIKeyKYEKMSKLQUJHLS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.30
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 23602561) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID23602561
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=NC3(CCNCC3)NC2=O)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(9-11(10)2)13-14(19)18-15(17-13)5-7-16-8-6-15/h3-4,9,16H,5-8H2,1-2H3,(H,18,19)
InChIKeyKYEKMSKLQUJHLS-UHFFFAOYSA-N
XLogP1.30
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CID 23602561) is 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one is Cc1ccc(C2=NC3(CCNCC3)NC2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is KYEKMSKLQUJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-3-4-12(9-11(10)2)13-14(19)18-15(17-13)5-7-16-8-6-15/h3-4,9,16H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 23602561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).