2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one

C12H20N2O — CID 19379820

IUPAC2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H20N2O/c1-2-3-7-10-13-11(15)12(14-10)8-5-4-6-9-12/h2-9H2,1H3,(H,13,14,15)
InChIKeyOFVJQIIAYMYSFZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds3

About 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one

2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 19379820) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID19379820
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H20N2O/c1-2-3-7-10-13-11(15)12(14-10)8-5-4-6-9-12/h2-9H2,1H3,(H,13,14,15)
InChIKeyOFVJQIIAYMYSFZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 19379820) is 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCCCC2)C(=O)N1.
What is the InChIKey of 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is OFVJQIIAYMYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-7-10-13-11(15)12(14-10)8-5-4-6-9-12/h2-9H2,1H3,(H,13,14,15).
What are the key properties of 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 208.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 19379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).