dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate

C18H19NO5 — CID 154715909

IUPACdimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(CCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-15(20)13-14(16(21)24-2)19(11-12-7-4-3-5-8-12)17(22)18(13)9-6-10-18/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYVFXLQNGKXRNJL-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.80
Rot. Bonds4

About dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate

dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate (PubChem CID 154715909) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate
PubChem CID154715909
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namedimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(CCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-15(20)13-14(16(21)24-2)19(11-12-7-4-3-5-8-12)17(22)18(13)9-6-10-18/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYVFXLQNGKXRNJL-UHFFFAOYSA-N
XLogP1.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate?
The IUPAC name of dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate (CID 154715909) is dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate.
What is the SMILES notation for dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate?
The canonical SMILES for dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(CCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate?
The InChIKey is YVFXLQNGKXRNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-15(20)13-14(16(21)24-2)19(11-12-7-4-3-5-8-12)17(22)18(13)9-6-10-18/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate?
dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate has a molecular weight of 329.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-benzyl-5-oxo-6-azaspiro[3.4]oct-7-ene-7,8-dicarboxylate is sourced from PubChem (CID 154715909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).