3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one

C16H19NO4 — CID 58115383

IUPAC3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
SMILESCOc1ccc(C2=NOC3(CCC(=O)CC3)C2)cc1OC
InChIInChI=1S/C16H19NO4/c1-19-14-4-3-11(9-15(14)20-2)13-10-16(21-17-13)7-5-12(18)6-8-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPSNPNABSYKIXGI-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.71
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one

3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one (PubChem CID 58115383) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
PubChem CID58115383
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
SMILESCOc1ccc(C2=NOC3(CCC(=O)CC3)C2)cc1OC
InChIInChI=1S/C16H19NO4/c1-19-14-4-3-11(9-15(14)20-2)13-10-16(21-17-13)7-5-12(18)6-8-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPSNPNABSYKIXGI-UHFFFAOYSA-N
XLogP2.71
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one (CID 58115383) is 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one is COc1ccc(C2=NOC3(CCC(=O)CC3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one?
The InChIKey is PSNPNABSYKIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-14-4-3-11(9-15(14)20-2)13-10-16(21-17-13)7-5-12(18)6-8-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one?
3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one has a molecular weight of 289.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one is sourced from PubChem (CID 58115383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).