5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one

C10H19N3O — CID 144828070

IUPAC5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)NCCC(=O)N2C
InChIInChI=1S/C10H19N3O/c1-12-7-4-10(5-8-12)11-6-3-9(14)13(10)2/h11H,3-8H2,1-2H3
InChIKeyPZLHYRNPYZQAKO-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.14
Rot. Bonds

About 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one

5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one (PubChem CID 144828070) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one
PubChem CID144828070
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)NCCC(=O)N2C
InChIInChI=1S/C10H19N3O/c1-12-7-4-10(5-8-12)11-6-3-9(14)13(10)2/h11H,3-8H2,1-2H3
InChIKeyPZLHYRNPYZQAKO-UHFFFAOYSA-N
XLogP-0.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 66570377
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115
2-methyl-2,9-diazaspiro[4.5]decan-6-one
CID 82413175
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
1'-methylspiro[1,2,3,5,6,7-hexahydroimidazo[4,5-c]pyridine-4,4'-piperidine]
CID 86340576
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259
8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 135243615
1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
CID 126718947
8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one
CID 140757355
9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
CID 82397620

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one?
The IUPAC name of 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one (CID 144828070) is 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one.
What is the SMILES notation for 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one?
The canonical SMILES for 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one is CN1CCC2(CC1)NCCC(=O)N2C.
What is the InChIKey of 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one?
The InChIKey is PZLHYRNPYZQAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-7-4-10(5-8-12)11-6-3-9(14)13(10)2/h11H,3-8H2,1-2H3.
What are the key properties of 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one?
5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one has a molecular weight of 197.28 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one is sourced from PubChem (CID 144828070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).