1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

C16H15NO2S — CID 114336602

IUPAC1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc(C(=O)N2CCCC(=O)c3ccccc32)s1
InChIInChI=1S/C16H15NO2S/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyLCSZCOFDGYVXBC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.68
Rot. Bonds1

About 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336602) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336602
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc(C(=O)N2CCCC(=O)c3ccccc32)s1
InChIInChI=1S/C16H15NO2S/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyLCSZCOFDGYVXBC-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336602) is 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is Cc1ccc(C(=O)N2CCCC(=O)c3ccccc32)s1.
What is the InChIKey of 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is LCSZCOFDGYVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3.
What are the key properties of 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 285.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).