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

C7H13N3O — CID 23158969

IUPAC1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCNCC2)N1
InChIInChI=1S/C7H13N3O/c11-6-5-9-7(10-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyHFPLVVCVTUVAPK-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.21
Rot. Bonds

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

1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 23158969) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID23158969
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCNCC2)N1
InChIInChI=1S/C7H13N3O/c11-6-5-9-7(10-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyHFPLVVCVTUVAPK-UHFFFAOYSA-N
XLogP-1.21
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 1,4,8-triazaspiro[4.5]decan-3-one (CID 23158969) is 1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 1,4,8-triazaspiro[4.5]decan-3-one is O=C1CNC2(CCNCC2)N1.
What is the InChIKey of 1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is HFPLVVCVTUVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-6-5-9-7(10-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11).
What are the key properties of 1,4,8-triazaspiro[4.5]decan-3-one?
1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 155.20 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 23158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).