8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H17NO — CID 57076404

IUPAC8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1ccc(-c2ccc3c(c2)NC(=O)CCC3)cc1
InChIInChI=1S/C17H17NO/c1-12-5-7-13(8-6-12)15-10-9-14-3-2-4-17(19)18-16(14)11-15/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyABCVGSDTHHMDQO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.94
Rot. Bonds1

About 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 57076404) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID57076404
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1ccc(-c2ccc3c(c2)NC(=O)CCC3)cc1
InChIInChI=1S/C17H17NO/c1-12-5-7-13(8-6-12)15-10-9-14-3-2-4-17(19)18-16(14)11-15/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyABCVGSDTHHMDQO-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 4093214
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 163249662
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164924976
8-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one;ethane;4-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 144684363
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 57076404) is 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is Cc1ccc(-c2ccc3c(c2)NC(=O)CCC3)cc1.
What is the InChIKey of 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is ABCVGSDTHHMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-5-7-13(8-6-12)15-10-9-14-3-2-4-17(19)18-16(14)11-15/h5-11H,2-4H2,1H3,(H,18,19).
What are the key properties of 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 57076404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).