2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one

C13H9NO3 — CID 2812525

IUPAC2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccco3)oc(=O)c12
InChIInChI=1S/C13H9NO3/c1-8-4-2-5-9-11(8)13(15)17-12(14-9)10-6-3-7-16-10/h2-7H,1H3
InChIKeyHUIKNHXZBHSIGT-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.76
Rot. Bonds1

About 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one

2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one (PubChem CID 2812525) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one
PubChem CID2812525
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccco3)oc(=O)c12
InChIInChI=1S/C13H9NO3/c1-8-4-2-5-9-11(8)13(15)17-12(14-9)10-6-3-7-16-10/h2-7H,1H3
InChIKeyHUIKNHXZBHSIGT-UHFFFAOYSA-N
XLogP2.76
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Furan-2-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate
CID 695621
2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
CID 296003
2-(5-bromo-2-furyl)-4H-3,1-benzoxazin-4-one
CID 1254875
Benzoic acid, 2-[(2-furanylmethylene)amino]-
CID 690980
2-(5-Bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-one
CID 2231188
2-(3-Methyl-1-benzofuran-2-yl)-3,1-benzoxazin-4-one
CID 44224991
2-[(E)-2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
CID 5702385
2-[2-(Furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
CID 2732114
7-Chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one
CID 774493
5-Fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
CID 2798373
Pestalamine A
CID 102217969
2-Furyl-6-iodo-3,1-benzoxazin-4(3h)-one
CID 129781954

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one (CID 2812525) is 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3ccco3)oc(=O)c12.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one?
The InChIKey is HUIKNHXZBHSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-8-4-2-5-9-11(8)13(15)17-12(14-9)10-6-3-7-16-10/h2-7H,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one?
2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one has a molecular weight of 227.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 2812525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).