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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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(3,3,3-Trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574754
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-Butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 11708608
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 19422619
2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
CID 19422621

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).