8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one

C11H19N3O3 — CID 106824969

IUPAC8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
SMILESCCOC1CC2(C1)C(N)=NC(=O)N2CCOC
InChIInChI=1S/C11H19N3O3/c1-3-17-8-6-11(7-8)9(12)13-10(15)14(11)4-5-16-2/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyZHXNUZAIKOMHHW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.36
Rot. Bonds5

About 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one

8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one (PubChem CID 106824969) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one.

Molecular Properties

Compound Name8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
PubChem CID106824969
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
SMILESCCOC1CC2(C1)C(N)=NC(=O)N2CCOC
InChIInChI=1S/C11H19N3O3/c1-3-17-8-6-11(7-8)9(12)13-10(15)14(11)4-5-16-2/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyZHXNUZAIKOMHHW-UHFFFAOYSA-N
XLogP0.36
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
CID 79967104
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one?
The IUPAC name of 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one (CID 106824969) is 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one.
What is the SMILES notation for 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one?
The canonical SMILES for 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one is CCOC1CC2(C1)C(N)=NC(=O)N2CCOC.
What is the InChIKey of 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one?
The InChIKey is ZHXNUZAIKOMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-8-6-11(7-8)9(12)13-10(15)14(11)4-5-16-2/h8H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one?
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one is sourced from PubChem (CID 106824969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).