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

C9H17N3O — CID 10442369

IUPAC2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(C)N2
InChIInChI=1S/C9H17N3O/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9/h10H,3-7H2,1-2H3
InChIKeyCIYPPDCZTBMEDO-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.18
Rot. Bonds

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

2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 10442369) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID10442369
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(C)N2
InChIInChI=1S/C9H17N3O/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9/h10H,3-7H2,1-2H3
InChIKeyCIYPPDCZTBMEDO-UHFFFAOYSA-N
XLogP-0.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 10442369) is 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one is CN1CCC2(CC1)CC(=O)N(C)N2.
What is the InChIKey of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is CIYPPDCZTBMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9/h10H,3-7H2,1-2H3.
What are the key properties of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one?
2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 183.25 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 10442369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).