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

C7H11N3O — CID 22975579

IUPAC1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC=NC12CCNCC2
InChIInChI=1S/C7H11N3O/c11-6-7(10-5-9-6)1-3-8-4-2-7/h5,8H,1-4H2,(H,9,10,11)
InChIKeyBRVSNRACQLWLFE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.73
Rot. Bonds

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

1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 22975579) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID22975579
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC=NC12CCNCC2
InChIInChI=1S/C7H11N3O/c11-6-7(10-5-9-6)1-3-8-4-2-7/h5,8H,1-4H2,(H,9,10,11)
InChIKeyBRVSNRACQLWLFE-UHFFFAOYSA-N
XLogP-0.73
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 22975579) is 1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 1,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C1NC=NC12CCNCC2.
What is the InChIKey of 1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BRVSNRACQLWLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-6-7(10-5-9-6)1-3-8-4-2-7/h5,8H,1-4H2,(H,9,10,11).
What are the key properties of 1,3,8-triazaspiro[4.5]dec-1-en-4-one?
1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 153.19 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 22975579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).