(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C14H17NO5 — CID 103890671

IUPAC(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17NO5/c16-10-3-1-4-11(17)12(10)13(18)15-6-2-5-14(9-15)19-7-8-20-14/h1,3-4,16-17H,2,5-9H2
InChIKeyYBJNHFVBGWCZKW-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.08
Rot. Bonds1

About (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 103890671) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID103890671
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17NO5/c16-10-3-1-4-11(17)12(10)13(18)15-6-2-5-14(9-15)19-7-8-20-14/h1,3-4,16-17H,2,5-9H2
InChIKeyYBJNHFVBGWCZKW-UHFFFAOYSA-N
XLogP1.08
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 106994159
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 84592892
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 103890671) is (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1c(O)cccc1O)N1CCCC2(C1)OCCO2.
What is the InChIKey of (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is YBJNHFVBGWCZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-10-3-1-4-11(17)12(10)13(18)15-6-2-5-14(9-15)19-7-8-20-14/h1,3-4,16-17H,2,5-9H2.
What are the key properties of (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 279.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103890671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).