3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one

C11H20N2O2 — CID 13436724

IUPAC3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one
SMILESCCCCN1C(=O)NC2(CCCC2)C1O
InChIInChI=1S/C11H20N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyPQZXKEVMFNPJQB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.44
Rot. Bonds3

About 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one

3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one (PubChem CID 13436724) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one
PubChem CID13436724
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one
SMILESCCCCN1C(=O)NC2(CCCC2)C1O
InChIInChI=1S/C11H20N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyPQZXKEVMFNPJQB-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one (CID 13436724) is 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one is CCCCN1C(=O)NC2(CCCC2)C1O.
What is the InChIKey of 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one?
The InChIKey is PQZXKEVMFNPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h9,14H,2-8H2,1H3,(H,12,15).
What are the key properties of 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one?
3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1,3-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 13436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).