5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one

C7H13N3O — CID 105430326

IUPAC5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1CC2(CNC2)N(C)C1=O
InChIInChI=1S/C7H13N3O/c1-9-5-7(3-8-4-7)10(2)6(9)11/h8H,3-5H2,1-2H3
InChIKeyUPKITMYOAZNLCF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.67
Rot. Bonds

About 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one

5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 105430326) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID105430326
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1CC2(CNC2)N(C)C1=O
InChIInChI=1S/C7H13N3O/c1-9-5-7(3-8-4-7)10(2)6(9)11/h8H,3-5H2,1-2H3
InChIKeyUPKITMYOAZNLCF-UHFFFAOYSA-N
XLogP-0.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 105430326) is 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one is CN1CC2(CNC2)N(C)C1=O.
What is the InChIKey of 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is UPKITMYOAZNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9-5-7(3-8-4-7)10(2)6(9)11/h8H,3-5H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one?
5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 155.20 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105430326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).