3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

C13H24N2O — CID 83239839

IUPAC3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C13H24N2O/c1-4-10(3)15-11(5-2)14-13(12(15)16)8-6-7-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyQZWWJZMVNJBKHL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds3

About 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83239839) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83239839
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C13H24N2O/c1-4-10(3)15-11(5-2)14-13(12(15)16)8-6-7-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyQZWWJZMVNJBKHL-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83239839) is 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)N1C(=O)C2(CCCC2)NC1CC.
What is the InChIKey of 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QZWWJZMVNJBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-10(3)15-11(5-2)14-13(12(15)16)8-6-7-9-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 224.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83239839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).