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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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).