1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C11H13NO2 — CID 12510541

IUPAC1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C11H13NO2/c1-8-3-4-11-10(7-8)12(9(2)13)5-6-14-11/h3-4,7H,5-6H2,1-2H3
InChIKeySWFOZFUKWAMOSQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds

About 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 12510541) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID12510541
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C11H13NO2/c1-8-3-4-11-10(7-8)12(9(2)13)5-6-14-11/h3-4,7H,5-6H2,1-2H3
InChIKeySWFOZFUKWAMOSQ-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 12510541) is 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is CC(=O)N1CCOc2ccc(C)cc21.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is SWFOZFUKWAMOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-4-11-10(7-8)12(9(2)13)5-6-14-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 12510541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).