2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one

C11H18N2O — CID 54556101

IUPAC2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCC(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-3-8(2)9-12-10(14)11(13-9)6-4-5-7-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZNGUZQYBEDDLOG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.87
Rot. Bonds2

About 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one

2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 54556101) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID54556101
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCC(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-3-8(2)9-12-10(14)11(13-9)6-4-5-7-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZNGUZQYBEDDLOG-UHFFFAOYSA-N
XLogP1.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 54556101) is 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one is CCC(C)C1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is ZNGUZQYBEDDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-8(2)9-12-10(14)11(13-9)6-4-5-7-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 54556101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).