3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one

C13H16N2O2 — CID 105490927

IUPAC3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCCC2)CN1c1ccc(O)cc1
InChIInChI=1S/C13H16N2O2/c16-11-5-3-10(4-6-11)15-9-13(14-12(15)17)7-1-2-8-13/h3-6,16H,1-2,7-9H2,(H,14,17)
InChIKeyJBTOMTNIHKMILP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one

3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one (PubChem CID 105490927) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one
PubChem CID105490927
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCCC2)CN1c1ccc(O)cc1
InChIInChI=1S/C13H16N2O2/c16-11-5-3-10(4-6-11)15-9-13(14-12(15)17)7-1-2-8-13/h3-6,16H,1-2,7-9H2,(H,14,17)
InChIKeyJBTOMTNIHKMILP-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one (CID 105490927) is 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one is O=C1NC2(CCCC2)CN1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one?
The InChIKey is JBTOMTNIHKMILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-5-3-10(4-6-11)15-9-13(14-12(15)17)7-1-2-8-13/h3-6,16H,1-2,7-9H2,(H,14,17).
What are the key properties of 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one?
3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,3-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 105490927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).