7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one

C12H14N2O2 — CID 105472260

IUPAC7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NC2(CCC2)CN1c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c15-10-4-2-9(3-5-10)14-8-12(6-1-7-12)13-11(14)16/h2-5,15H,1,6-8H2,(H,13,16)
InChIKeyKVTXGUNWQYEOMF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds1

About 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one

7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 105472260) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID105472260
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NC2(CCC2)CN1c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c15-10-4-2-9(3-5-10)14-8-12(6-1-7-12)13-11(14)16/h2-5,15H,1,6-8H2,(H,13,16)
InChIKeyKVTXGUNWQYEOMF-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one (CID 105472260) is 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one is O=C1NC2(CCC2)CN1c1ccc(O)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is KVTXGUNWQYEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-10-4-2-9(3-5-10)14-8-12(6-1-7-12)13-11(14)16/h2-5,15H,1,6-8H2,(H,13,16).
What are the key properties of 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one?
7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 218.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105472260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).