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

C12H21N3O — CID 154599933

IUPAC8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(C)(C)C)CC2)C(=O)N1
InChIInChI=1S/C12H21N3O/c1-9-13-10(16)12(14-9)5-7-15(8-6-12)11(2,3)4/h5-8H2,1-4H3,(H,13,14,16)
InChIKeyURCHLFMQEAYIAZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.17
Rot. Bonds

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

8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 154599933) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID154599933
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(C)(C)C)CC2)C(=O)N1
InChIInChI=1S/C12H21N3O/c1-9-13-10(16)12(14-9)5-7-15(8-6-12)11(2,3)4/h5-8H2,1-4H3,(H,13,14,16)
InChIKeyURCHLFMQEAYIAZ-UHFFFAOYSA-N
XLogP1.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 154599933) is 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(C(C)(C)C)CC2)C(=O)N1.
What is the InChIKey of 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is URCHLFMQEAYIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-13-10(16)12(14-9)5-7-15(8-6-12)11(2,3)4/h5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 154599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).