ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

C15H19N3O3 — CID 154401267

IUPACethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C15H19N3O3/c1-2-20-14(19)18-10-8-15(9-11-18)16-13(17-21-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17)
InChIKeyZTSJRGAWOXVHQV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.92
Rot. Bonds2

About ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 154401267) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID154401267
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nameethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C15H19N3O3/c1-2-20-14(19)18-10-8-15(9-11-18)16-13(17-21-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17)
InChIKeyZTSJRGAWOXVHQV-UHFFFAOYSA-N
XLogP1.92
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate (CID 154401267) is ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate is CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2.
What is the InChIKey of ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is ZTSJRGAWOXVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-20-14(19)18-10-8-15(9-11-18)16-13(17-21-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17).
What are the key properties of ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate?
ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 154401267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).