1-(6-acetyl-10H-phenoxazin-4-yl)ethanone

C16H13NO3 — CID 21276359

IUPAC1-(6-acetyl-10H-phenoxazin-4-yl)ethanone
SMILESCC(=O)c1cccc2c1Oc1c(cccc1C(C)=O)N2
InChIInChI=1S/C16H13NO3/c1-9(18)11-5-3-7-13-15(11)20-16-12(10(2)19)6-4-8-14(16)17-13/h3-8,17H,1-2H3
InChIKeySLGVMKNUEBYZRP-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.94
Rot. Bonds2

About 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone

1-(6-acetyl-10H-phenoxazin-4-yl)ethanone (PubChem CID 21276359) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-10H-phenoxazin-4-yl)ethanone
PubChem CID21276359
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-(6-acetyl-10H-phenoxazin-4-yl)ethanone
SMILESCC(=O)c1cccc2c1Oc1c(cccc1C(C)=O)N2
InChIInChI=1S/C16H13NO3/c1-9(18)11-5-3-7-13-15(11)20-16-12(10(2)19)6-4-8-14(16)17-13/h3-8,17H,1-2H3
InChIKeySLGVMKNUEBYZRP-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10H-phenoxazine-4,6-dicarboxylic acid
CID 14031272
8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one
CID 57475445
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(2-sulfanylidene-4H-1,3-benzodioxin-8-yl)ethanone
CID 84780162
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]ethanone
CID 10537715
N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide
CID 20773061
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
1-[2-[[(2-acetylphenyl)-dimethylsilyl]-dimethylsilyl]phenyl]ethanone
CID 101417764
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone?
The IUPAC name of 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone (CID 21276359) is 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone.
What is the SMILES notation for 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone?
The canonical SMILES for 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone is CC(=O)c1cccc2c1Oc1c(cccc1C(C)=O)N2.
What is the InChIKey of 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone?
The InChIKey is SLGVMKNUEBYZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9(18)11-5-3-7-13-15(11)20-16-12(10(2)19)6-4-8-14(16)17-13/h3-8,17H,1-2H3.
What are the key properties of 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone?
1-(6-acetyl-10H-phenoxazin-4-yl)ethanone has a molecular weight of 267.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-10H-phenoxazin-4-yl)ethanone is sourced from PubChem (CID 21276359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).