1,3,9-triazaspiro[4.5]decan-2-one

C7H13N3O — CID 83679914

IUPAC1,3,9-triazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCNC2)N1
InChIInChI=1S/C7H13N3O/c11-6-9-5-7(10-6)2-1-3-8-4-7/h8H,1-5H2,(H2,9,10,11)
InChIKeyOWDXVKSJDZVIRF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.58
Rot. Bonds

About 1,3,9-triazaspiro[4.5]decan-2-one

1,3,9-triazaspiro[4.5]decan-2-one (PubChem CID 83679914) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,3,9-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1,3,9-triazaspiro[4.5]decan-2-one
PubChem CID83679914
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,3,9-triazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCNC2)N1
InChIInChI=1S/C7H13N3O/c11-6-9-5-7(10-6)2-1-3-8-4-7/h8H,1-5H2,(H2,9,10,11)
InChIKeyOWDXVKSJDZVIRF-UHFFFAOYSA-N
XLogP-0.58
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 83872853
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 115067081
1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine
CID 157153560
1,4,8-triazaspiro[5.5]undecane
CID 57350918
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
2,9-diazaspiro[4.5]decan-1-one
CID 23135196
2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide
CID 175977076
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
1,4,9-triazaspiro[4.5]decan-3-one
CID 67172447
2,10-diazaspiro[4.6]undecan-1-one
CID 105433866

Frequently Asked Questions

What is the IUPAC name of 1,3,9-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1,3,9-triazaspiro[4.5]decan-2-one (CID 83679914) is 1,3,9-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1,3,9-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1,3,9-triazaspiro[4.5]decan-2-one is O=C1NCC2(CCCNC2)N1.
What is the InChIKey of 1,3,9-triazaspiro[4.5]decan-2-one?
The InChIKey is OWDXVKSJDZVIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-6-9-5-7(10-6)2-1-3-8-4-7/h8H,1-5H2,(H2,9,10,11).
What are the key properties of 1,3,9-triazaspiro[4.5]decan-2-one?
1,3,9-triazaspiro[4.5]decan-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).