3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one

C18H19NO — CID 102197918

IUPAC3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCc1cccc(C2C(=O)N(C)CCc3ccccc32)c1
InChIInChI=1S/C18H19NO/c1-13-6-5-8-15(12-13)17-16-9-4-3-7-14(16)10-11-19(2)18(17)20/h3-9,12,17H,10-11H2,1-2H3
InChIKeyVNBQCOWSZDEGAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.14
Rot. Bonds1

About 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one

3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 102197918) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID102197918
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCc1cccc(C2C(=O)N(C)CCc3ccccc32)c1
InChIInChI=1S/C18H19NO/c1-13-6-5-8-15(12-13)17-16-9-4-3-7-14(16)10-11-19(2)18(17)20/h3-9,12,17H,10-11H2,1-2H3
InChIKeyVNBQCOWSZDEGAA-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one (CID 102197918) is 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one is Cc1cccc(C2C(=O)N(C)CCc3ccccc32)c1.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is VNBQCOWSZDEGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-6-5-8-15(12-13)17-16-9-4-3-7-14(16)10-11-19(2)18(17)20/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one?
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 265.36 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 102197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).