2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

C12H20N2O — CID 54498555

IUPAC2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1C
InChIInChI=1S/C12H20N2O/c1-3-4-7-10-13-12(8-5-6-9-12)11(15)14(10)2/h3-9H2,1-2H3
InChIKeyYAVCBZQQIRKLPT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.36
Rot. Bonds3

About 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 54498555) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID54498555
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1C
InChIInChI=1S/C12H20N2O/c1-3-4-7-10-13-12(8-5-6-9-12)11(15)14(10)2/h3-9H2,1-2H3
InChIKeyYAVCBZQQIRKLPT-UHFFFAOYSA-N
XLogP2.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 54498555) is 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is CCCCC1=NC2(CCCC2)C(=O)N1C.
What is the InChIKey of 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is YAVCBZQQIRKLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-7-10-13-12(8-5-6-9-12)11(15)14(10)2/h3-9H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 208.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 54498555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).