7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C16H15NO2 — CID 102196486

IUPAC7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCc1ccc2c(c1)C(=O)NCC(c1ccccc1)O2
InChIInChI=1S/C16H15NO2/c1-11-7-8-14-13(9-11)16(18)17-10-15(19-14)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeySIOXWACWXSIUAV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.86
Rot. Bonds1

About 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one

7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 102196486) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID102196486
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCc1ccc2c(c1)C(=O)NCC(c1ccccc1)O2
InChIInChI=1S/C16H15NO2/c1-11-7-8-14-13(9-11)16(18)17-10-15(19-14)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeySIOXWACWXSIUAV-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 102196486) is 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is Cc1ccc2c(c1)C(=O)NCC(c1ccccc1)O2.
What is the InChIKey of 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is SIOXWACWXSIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-7-8-14-13(9-11)16(18)17-10-15(19-14)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 253.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 102196486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).