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

C14H17NO5 — CID 103892687

IUPAC(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17NO5/c16-10-2-3-11(12(17)8-10)13(18)15-5-1-4-14(9-15)19-6-7-20-14/h2-3,8,16-17H,1,4-7,9H2
InChIKeyRUUDTNLWJGBOMX-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.08
Rot. Bonds1

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

(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 103892687) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID103892687
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17NO5/c16-10-2-3-11(12(17)8-10)13(18)15-5-1-4-14(9-15)19-6-7-20-14/h2-3,8,16-17H,1,4-7,9H2
InChIKeyRUUDTNLWJGBOMX-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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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 103892687) is (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(O)cc1O)N1CCCC2(C1)OCCO2.
What is the InChIKey of (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is RUUDTNLWJGBOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-10-2-3-11(12(17)8-10)13(18)15-5-1-4-14(9-15)19-6-7-20-14/h2-3,8,16-17H,1,4-7,9H2.
What are the key properties of (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2,4-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 (2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103892687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).