8-methyl-1,4,8-triazaspiro[4.5]decan-3-one

C8H15N3O — CID 58245157

IUPAC8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NCC(=O)N2
InChIInChI=1S/C8H15N3O/c1-11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyZMKQRLVKHKHVOL-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.87
Rot. Bonds

About 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one

8-methyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 58245157) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID58245157
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NCC(=O)N2
InChIInChI=1S/C8H15N3O/c1-11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyZMKQRLVKHKHVOL-UHFFFAOYSA-N
XLogP-0.87
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 ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 58245157) is 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one is CN1CCC2(CC1)NCC(=O)N2.
What is the InChIKey of 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is ZMKQRLVKHKHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12).
What are the key properties of 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-methyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 169.23 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 58245157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).