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

C11H21N3O — CID 135243615

IUPAC8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCCN1NC(=O)CC12CCN(C)CC2
InChIInChI=1S/C11H21N3O/c1-3-6-14-11(9-10(15)12-14)4-7-13(2)8-5-11/h3-9H2,1-2H3,(H,12,15)
InChIKeyGKAHCDDJJLOMAR-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds2

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

8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 135243615) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID135243615
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCCN1NC(=O)CC12CCN(C)CC2
InChIInChI=1S/C11H21N3O/c1-3-6-14-11(9-10(15)12-14)4-7-13(2)8-5-11/h3-9H2,1-2H3,(H,12,15)
InChIKeyGKAHCDDJJLOMAR-UHFFFAOYSA-N
XLogP0.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 135243615) is 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one is CCCN1NC(=O)CC12CCN(C)CC2.
What is the InChIKey of 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is GKAHCDDJJLOMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-6-14-11(9-10(15)12-14)4-7-13(2)8-5-11/h3-9H2,1-2H3,(H,12,15).
What are the key properties of 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one?
8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 211.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 135243615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).