2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one

C15H17NO4 — CID 79759663

IUPAC2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)C3CCOC3C)cc2NC1=O
InChIInChI=1S/C15H17NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18)
InChIKeyDODXMYHBXULGIX-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.01
Rot. Bonds2

About 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 79759663) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID79759663
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)C3CCOC3C)cc2NC1=O
InChIInChI=1S/C15H17NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18)
InChIKeyDODXMYHBXULGIX-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(oxane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 62213155
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119316472
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one (CID 79759663) is 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)C3CCOC3C)cc2NC1=O.
What is the InChIKey of 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is DODXMYHBXULGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 275.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 79759663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).