1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one

C10H19N3O — CID 22975580

IUPAC1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CN(C)C(=O)N2C
InChIInChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-12(2)9(14)13(10)3/h4-8H2,1-3H3
InChIKeyVPJBAAQCDCFBEY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.45
Rot. Bonds

About 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one

1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 22975580) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID22975580
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CN(C)C(=O)N2C
InChIInChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-12(2)9(14)13(10)3/h4-8H2,1-3H3
InChIKeyVPJBAAQCDCFBEY-UHFFFAOYSA-N
XLogP0.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 22975580) is 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one is CN1CCC2(CC1)CN(C)C(=O)N2C.
What is the InChIKey of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is VPJBAAQCDCFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-6-4-10(5-7-11)8-12(2)9(14)13(10)3/h4-8H2,1-3H3.
What are the key properties of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 22975580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).