ethane;7-methyl-4H-1,4-benzoxazin-3-one

C11H15NO2 — CID 143712087

IUPACethane;7-methyl-4H-1,4-benzoxazin-3-one
SMILESCC.Cc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C9H9NO2.C2H6/c1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-2/h2-4H,5H2,1H3,(H,10,11);1-2H3
InChIKeyOZOCQQXXDPTWRQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.35
Rot. Bonds

About ethane;7-methyl-4H-1,4-benzoxazin-3-one

ethane;7-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 143712087) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;7-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Nameethane;7-methyl-4H-1,4-benzoxazin-3-one
PubChem CID143712087
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethane;7-methyl-4H-1,4-benzoxazin-3-one
SMILESCC.Cc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C9H9NO2.C2H6/c1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-2/h2-4H,5H2,1H3,(H,10,11);1-2H3
InChIKeyOZOCQQXXDPTWRQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
3-(2,5-dimethylanilino)-4-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
CID 46277853
6-[2-(3-methylphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68982207
2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetaldehyde
CID 130015202
7-amino-6-(2,4-dimethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479274
7-amino-6-(2,4-dimethylphenyl)sulfanyl-4H-1,4-benzoxazin-3-one
CID 43479449
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-(2-sulfanylethyl)-4H-1,4-benzoxazin-3-one
CID 116994736
7-(2-chloroethyl)-4H-1,4-benzoxazin-3-one
CID 116994731
4-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]benzaldehyde
CID 76611328

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of ethane;7-methyl-4H-1,4-benzoxazin-3-one (CID 143712087) is ethane;7-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for ethane;7-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for ethane;7-methyl-4H-1,4-benzoxazin-3-one is CC.Cc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of ethane;7-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is OZOCQQXXDPTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C2H6/c1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-2/h2-4H,5H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;7-methyl-4H-1,4-benzoxazin-3-one?
ethane;7-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 143712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).