3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione

C18H20ClNO5 — CID 139919790

IUPAC3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCCOCON1C(=O)C(c2ccccc2Cl)=C(O)C12CCC(=O)CC2
InChIInChI=1S/C18H20ClNO5/c1-2-24-11-25-20-17(23)15(13-5-3-4-6-14(13)19)16(22)18(20)9-7-12(21)8-10-18/h3-6,22H,2,7-11H2,1H3
InChIKeyUVLNWQIAHRLJQB-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.26
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione

3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione (PubChem CID 139919790) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
PubChem CID139919790
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCCOCON1C(=O)C(c2ccccc2Cl)=C(O)C12CCC(=O)CC2
InChIInChI=1S/C18H20ClNO5/c1-2-24-11-25-20-17(23)15(13-5-3-4-6-14(13)19)16(22)18(20)9-7-12(21)8-10-18/h3-6,22H,2,7-11H2,1H3
InChIKeyUVLNWQIAHRLJQB-UHFFFAOYSA-N
XLogP3.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-Chloro-6-fluorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
CID 139859706
3-(2-Chloro-6-fluorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5,5-dimethylpyrrol-2-one
CID 139859821
3-(2-Chloro-6-fluorophenyl)-4-hydroxy-1-(1-methoxyethoxy)-5,5-dimethylpyrrol-2-one
CID 139860032
3-(2,4-Dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 139859685
[4-(2-Chlorophenyl)-1-(1-methoxyethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] cyclopentanecarboxylate
CID 139859688
3-(2-Chloro-6-methylphenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
CID 139859699
[4-(2-Chlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] cyclobutanecarboxylate
CID 139859710
3-(2-Chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
CID 139859720
[4-(2-Chlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 1-methylcyclopropane-1-carboxylate
CID 139859731
3-(2,4-Dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one
CID 139859736
3-(2,4-Dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one
CID 139859748
[4-(2-Chlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 2,2-dimethylpropanoate
CID 139859750

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione (CID 139919790) is 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione is CCOCON1C(=O)C(c2ccccc2Cl)=C(O)C12CCC(=O)CC2.
What is the InChIKey of 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The InChIKey is UVLNWQIAHRLJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-2-24-11-25-20-17(23)15(13-5-3-4-6-14(13)19)16(22)18(20)9-7-12(21)8-10-18/h3-6,22H,2,7-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione has a molecular weight of 365.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione is sourced from PubChem (CID 139919790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).