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

C11H21N3O — CID 23109435

IUPAC1-butyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCCCN1NC(=O)CC12CCNCC2
InChIInChI=1S/C11H21N3O/c1-2-3-8-14-11(9-10(15)13-14)4-6-12-7-5-11/h12H,2-9H2,1H3,(H,13,15)
InChIKeyCBSVJWRXYPGGFM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.65
Rot. Bonds3

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

1-butyl-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 23109435) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-butyl-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID23109435
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-butyl-1,2,8-triazaspiro[4.5]decan-3-one
SMILESCCCCN1NC(=O)CC12CCNCC2
InChIInChI=1S/C11H21N3O/c1-2-3-8-14-11(9-10(15)13-14)4-6-12-7-5-11/h12H,2-9H2,1H3,(H,13,15)
InChIKeyCBSVJWRXYPGGFM-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one (CID 23109435) is 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one is CCCCN1NC(=O)CC12CCNCC2.
What is the InChIKey of 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is CBSVJWRXYPGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-8-14-11(9-10(15)13-14)4-6-12-7-5-11/h12H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one?
1-butyl-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 211.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 23109435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).