2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C10H10N2O3 — CID 3047812

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-9(13)5-12-7-3-1-2-4-8(7)15-6-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChIKeyZHDATZMWGSUDMP-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.10
Rot. Bonds2

About 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3047812) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3047812
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-9(13)5-12-7-3-1-2-4-8(7)15-6-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChIKeyZHDATZMWGSUDMP-UHFFFAOYSA-N
XLogP-0.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3047812) is 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is NC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ZHDATZMWGSUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-9(13)5-12-7-3-1-2-4-8(7)15-6-10(12)14/h1-4H,5-6H2,(H2,11,13).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 206.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3047812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).