1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one

C10H19N3O — CID 15231630

IUPAC1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(C)N2C
InChIInChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-9(14)12(2)13(10)3/h4-8H2,1-3H3
InChIKeyDWJNQEKJGQRYJU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.16
Rot. Bonds

About 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one

1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 15231630) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID15231630
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(C)N2C
InChIInChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-9(14)12(2)13(10)3/h4-8H2,1-3H3
InChIKeyDWJNQEKJGQRYJU-UHFFFAOYSA-N
XLogP0.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 15231630) is 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one is CN1CCC2(CC1)CC(=O)N(C)N2C.
What is the InChIKey of 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is DWJNQEKJGQRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-9(14)12(2)13(10)3/h4-8H2,1-3H3.
What are the key properties of 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trimethyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 15231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).