4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C14H18N2O3 — CID 115067456

IUPAC4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCNC2)CN1c1ccccc1O
InChIInChI=1S/C14H18N2O3/c17-12-5-2-1-4-11(12)16-10-14(19-8-13(16)18)6-3-7-15-9-14/h1-2,4-5,15,17H,3,6-10H2
InChIKeyVTQCSGUSUIWMLP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.88
Rot. Bonds1

About 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 115067456) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID115067456
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCNC2)CN1c1ccccc1O
InChIInChI=1S/C14H18N2O3/c17-12-5-2-1-4-11(12)16-10-14(19-8-13(16)18)6-3-7-15-9-14/h1-2,4-5,15,17H,3,6-10H2
InChIKeyVTQCSGUSUIWMLP-UHFFFAOYSA-N
XLogP0.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067452
4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067460
4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067498
4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067949
9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 115067392
2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one
CID 105492607
cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
CID 118740488
9-cyclobutyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 115067370
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 141312603
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 115067456) is 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCCNC2)CN1c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VTQCSGUSUIWMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12-5-2-1-4-11(12)16-10-14(19-8-13(16)18)6-3-7-15-9-14/h1-2,4-5,15,17H,3,6-10H2.
What are the key properties of 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 115067456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).