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

C8H13N3O — CID 82277000

IUPAC1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCN1C=NC(=O)C12CCNCC2
InChIInChI=1S/C8H13N3O/c1-11-6-10-7(12)8(11)2-4-9-5-3-8/h6,9H,2-5H2,1H3
InChIKeyFWZKWBPLUMGDRD-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.39
Rot. Bonds

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

1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one (PubChem CID 82277000) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
PubChem CID82277000
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCN1C=NC(=O)C12CCNCC2
InChIInChI=1S/C8H13N3O/c1-11-6-10-7(12)8(11)2-4-9-5-3-8/h6,9H,2-5H2,1H3
InChIKeyFWZKWBPLUMGDRD-UHFFFAOYSA-N
XLogP-0.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 50944315
8-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622667
8-Ethyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622674
2,8-Dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097503
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097505
1,3,8-Triazaspiro[4.5]dec-1-en-4-one
CID 22975579
3-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22975678
2-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 50944317
2-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 57908087
2-(Aminomethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 57908091
2-Tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66827413
4-Oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
CID 67440682

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one (CID 82277000) is 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one is CN1C=NC(=O)C12CCNCC2.
What is the InChIKey of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The InChIKey is FWZKWBPLUMGDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-6-10-7(12)8(11)2-4-9-5-3-8/h6,9H,2-5H2,1H3.
What are the key properties of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 82277000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).