5-methyl-4H-1,5-benzoxazepin-3-one

C10H11NO2 — CID 83668267

IUPAC5-methyl-4H-1,5-benzoxazepin-3-one
SMILESCN1CC(=O)COc2ccccc21
InChIInChI=1S/C10H11NO2/c1-11-6-8(12)7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeySKFAAHSTPKUZAJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.08
Rot. Bonds

About 5-methyl-4H-1,5-benzoxazepin-3-one

5-methyl-4H-1,5-benzoxazepin-3-one (PubChem CID 83668267) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-methyl-4H-1,5-benzoxazepin-3-one.

Molecular Properties

Compound Name5-methyl-4H-1,5-benzoxazepin-3-one
PubChem CID83668267
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-methyl-4H-1,5-benzoxazepin-3-one
SMILESCN1CC(=O)COc2ccccc21
InChIInChI=1S/C10H11NO2/c1-11-6-8(12)7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeySKFAAHSTPKUZAJ-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
4-propanoyl-1,4-benzoxazin-3-one
CID 18325679
2-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 114992061
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one
CID 21029853
(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4H-1,5-benzoxazepin-3-one?
The IUPAC name of 5-methyl-4H-1,5-benzoxazepin-3-one (CID 83668267) is 5-methyl-4H-1,5-benzoxazepin-3-one.
What is the SMILES notation for 5-methyl-4H-1,5-benzoxazepin-3-one?
The canonical SMILES for 5-methyl-4H-1,5-benzoxazepin-3-one is CN1CC(=O)COc2ccccc21.
What is the InChIKey of 5-methyl-4H-1,5-benzoxazepin-3-one?
The InChIKey is SKFAAHSTPKUZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-6-8(12)7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3.
What are the key properties of 5-methyl-4H-1,5-benzoxazepin-3-one?
5-methyl-4H-1,5-benzoxazepin-3-one has a molecular weight of 177.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-1,5-benzoxazepin-3-one is sourced from PubChem (CID 83668267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).