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

C9H15N3O — CID 22097503

IUPAC2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9/h3-6H2,1-2H3,(H,10,11,13)
InChIKeyYXWFAIFFILWUCS-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.00
Rot. Bonds

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

2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 22097503) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID22097503
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9/h3-6H2,1-2H3,(H,10,11,13)
InChIKeyYXWFAIFFILWUCS-UHFFFAOYSA-N
XLogP-0.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 22097503) is 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(C)CC2)C(=O)N1.
What is the InChIKey of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YXWFAIFFILWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-8(13)9(11-7)3-5-12(2)6-4-9/h3-6H2,1-2H3,(H,10,11,13).
What are the key properties of 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 22097503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).