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

C8H15N3O — CID 89310977

IUPAC2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1NC2(CCNCC2)CC1=O
InChIInChI=1S/C8H15N3O/c1-11-7(12)6-8(10-11)2-4-9-5-3-8/h9-10H,2-6H2,1H3
InChIKeyJWKZDFWGVOGWEG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.52
Rot. Bonds

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

2-methyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 89310977) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID89310977
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1NC2(CCNCC2)CC1=O
InChIInChI=1S/C8H15N3O/c1-11-7(12)6-8(10-11)2-4-9-5-3-8/h9-10H,2-6H2,1H3
InChIKeyJWKZDFWGVOGWEG-UHFFFAOYSA-N
XLogP-0.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 89310977) is 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one is CN1NC2(CCNCC2)CC1=O.
What is the InChIKey of 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is JWKZDFWGVOGWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-7(12)6-8(10-11)2-4-9-5-3-8/h9-10H,2-6H2,1H3.
What are the key properties of 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one?
2-methyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 169.23 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 89310977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).