4-propanoyl-1,4-benzoxazin-3-one

C11H11NO3 — CID 18325679

IUPAC4-propanoyl-1,4-benzoxazin-3-one
SMILESCCC(=O)N1C(=O)COc2ccccc21
InChIInChI=1S/C11H11NO3/c1-2-10(13)12-8-5-3-4-6-9(8)15-7-11(12)14/h3-6H,2,7H2,1H3
InChIKeyOEAAMEMUMQJXEC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.35
Rot. Bonds1

About 4-propanoyl-1,4-benzoxazin-3-one

4-propanoyl-1,4-benzoxazin-3-one (PubChem CID 18325679) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-propanoyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-propanoyl-1,4-benzoxazin-3-one
PubChem CID18325679
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-propanoyl-1,4-benzoxazin-3-one
SMILESCCC(=O)N1C(=O)COc2ccccc21
InChIInChI=1S/C11H11NO3/c1-2-10(13)12-8-5-3-4-6-9(8)15-7-11(12)14/h3-6H,2,7H2,1H3
InChIKeyOEAAMEMUMQJXEC-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
2-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 114992061
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 20968282
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
CID 115139606
(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
4-(3-amino-2-ethoxypropyl)-1,4-benzoxazin-3-one
CID 63072172
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-propanoyl-1,4-benzoxazin-3-one (CID 18325679) is 4-propanoyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-propanoyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-propanoyl-1,4-benzoxazin-3-one is CCC(=O)N1C(=O)COc2ccccc21.
What is the InChIKey of 4-propanoyl-1,4-benzoxazin-3-one?
The InChIKey is OEAAMEMUMQJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-10(13)12-8-5-3-4-6-9(8)15-7-11(12)14/h3-6H,2,7H2,1H3.
What are the key properties of 4-propanoyl-1,4-benzoxazin-3-one?
4-propanoyl-1,4-benzoxazin-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 18325679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).