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

C17H17NO — CID 102460636

IUPAC5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCc1cccc(C2CC(=O)NCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-12-5-4-7-13(9-12)16-10-17(19)18-11-14-6-2-3-8-15(14)16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeySLPVDWPCHBBWLH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.15
Rot. Bonds1

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

5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one (PubChem CID 102460636) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
PubChem CID102460636
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCc1cccc(C2CC(=O)NCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-12-5-4-7-13(9-12)16-10-17(19)18-11-14-6-2-3-8-15(14)16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeySLPVDWPCHBBWLH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(1H-indol-5-yl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 24887406
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
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7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
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5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
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3-(3-methylphenyl)oxolane-2,5-dione
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3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
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6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 102197918
2-(3-methylphenyl)-4H-chromen-3-one
CID 70545875
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651930

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The IUPAC name of 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one (CID 102460636) is 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one.
What is the SMILES notation for 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The canonical SMILES for 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one is Cc1cccc(C2CC(=O)NCc3ccccc32)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The InChIKey is SLPVDWPCHBBWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-5-4-7-13(9-12)16-10-17(19)18-11-14-6-2-3-8-15(14)16/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one?
5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one has a molecular weight of 251.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one is sourced from PubChem (CID 102460636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).