7-prop-2-enoxy-4H-1,4-benzoxazin-3-one

C11H11NO3 — CID 19067995

IUPAC7-prop-2-enoxy-4H-1,4-benzoxazin-3-one
SMILESC=CCOc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C11H11NO3/c1-2-5-14-8-3-4-9-10(6-8)15-7-11(13)12-9/h2-4,6H,1,5,7H2,(H,12,13)
InChIKeyYRINFJHLRKBMTK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.58
Rot. Bonds3

About 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one

7-prop-2-enoxy-4H-1,4-benzoxazin-3-one (PubChem CID 19067995) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-prop-2-enoxy-4H-1,4-benzoxazin-3-one
PubChem CID19067995
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-prop-2-enoxy-4H-1,4-benzoxazin-3-one
SMILESC=CCOc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C11H11NO3/c1-2-5-14-8-3-4-9-10(6-8)15-7-11(13)12-9/h2-4,6H,1,5,7H2,(H,12,13)
InChIKeyYRINFJHLRKBMTK-UHFFFAOYSA-N
XLogP1.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetaldehyde
CID 130015202
[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]phenyl]phosphonic acid
CID 22312850
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
CID 167895843
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
7-(2-chloroethyl)-4H-1,4-benzoxazin-3-one
CID 116994731
7-(2-sulfanylethyl)-4H-1,4-benzoxazin-3-one
CID 116994736
6-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]amino]propoxy]-4H-1,4-benzoxazin-3-one
CID 70473777
7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
CID 17233891
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one (CID 19067995) is 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one is C=CCOc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is YRINFJHLRKBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-5-14-8-3-4-9-10(6-8)15-7-11(13)12-9/h2-4,6H,1,5,7H2,(H,12,13).
What are the key properties of 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one?
7-prop-2-enoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 19067995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).