4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C16H19NO5 — CID 66797641

IUPAC4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccccc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C16H19NO5/c1-20-12-6-4-3-5-11(12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,18H,7-10H2,1-2H3
InChIKeyDGUPYPYBLGFPBC-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.92
Rot. Bonds3

About 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 66797641) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID66797641
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccccc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C16H19NO5/c1-20-12-6-4-3-5-11(12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,18H,7-10H2,1-2H3
InChIKeyDGUPYPYBLGFPBC-UHFFFAOYSA-N
XLogP1.92
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 66797641) is 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is COc1ccccc1C1=C(O)C2(CCN(OC)CC2)OC1=O.
What is the InChIKey of 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is DGUPYPYBLGFPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-20-12-6-4-3-5-11(12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,18H,7-10H2,1-2H3.
What are the key properties of 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 305.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2-methoxyphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 66797641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).