2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one

C15H11NO3 — CID 4891351

IUPAC2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
SMILESCc1ccc(C=Cc2nc(=O)c3ccccc3o2)o1
InChIInChI=1S/C15H11NO3/c1-10-6-7-11(18-10)8-9-14-16-15(17)12-4-2-3-5-13(12)19-14/h2-9H,1H3
InChIKeyRITALGSOMPSYKL-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.26
Rot. Bonds2

About 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one

2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one (PubChem CID 4891351) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
PubChem CID4891351
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
SMILESCc1ccc(C=Cc2nc(=O)c3ccccc3o2)o1
InChIInChI=1S/C15H11NO3/c1-10-6-7-11(18-10)8-9-14-16-15(17)12-4-2-3-5-13(12)19-14/h2-9H,1H3
InChIKeyRITALGSOMPSYKL-UHFFFAOYSA-N
XLogP3.26
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one (CID 4891351) is 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one is Cc1ccc(C=Cc2nc(=O)c3ccccc3o2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one?
The InChIKey is RITALGSOMPSYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10-6-7-11(18-10)8-9-14-16-15(17)12-4-2-3-5-13(12)19-14/h2-9H,1H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one?
2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one is sourced from PubChem (CID 4891351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).