(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate

C17H16N2O3 — CID 58070693

IUPAC(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate
SMILESC=Cc1ccc2cc(C(=O)OC3CNC(=O)NC3)ccc2c1
InChIInChI=1S/C17H16N2O3/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)16(20)22-15-9-18-17(21)19-10-15/h2-8,15H,1,9-10H2,(H2,18,19,21)
InChIKeyBEEMDGNZNXSVQM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds3

About (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate

(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate (PubChem CID 58070693) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate
PubChem CID58070693
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate
SMILESC=Cc1ccc2cc(C(=O)OC3CNC(=O)NC3)ccc2c1
InChIInChI=1S/C17H16N2O3/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)16(20)22-15-9-18-17(21)19-10-15/h2-8,15H,1,9-10H2,(H2,18,19,21)
InChIKeyBEEMDGNZNXSVQM-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate?
The IUPAC name of (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate (CID 58070693) is (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate.
What is the SMILES notation for (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate?
The canonical SMILES for (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate is C=Cc1ccc2cc(C(=O)OC3CNC(=O)NC3)ccc2c1.
What is the InChIKey of (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate?
The InChIKey is BEEMDGNZNXSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)16(20)22-15-9-18-17(21)19-10-15/h2-8,15H,1,9-10H2,(H2,18,19,21).
What are the key properties of (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate?
(2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-diazinan-5-yl) 6-ethenylnaphthalene-2-carboxylate is sourced from PubChem (CID 58070693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).