1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one

C13H17NO — CID 58862212

IUPAC1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)C(C)CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-14-12-7-5-4-6-11(12)9-8-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQFBLVUHZGIOUCP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.62
Rot. Bonds1

About 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one

1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 58862212) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID58862212
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)C(C)CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-14-12-7-5-4-6-11(12)9-8-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQFBLVUHZGIOUCP-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 58862212) is 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one is CCN1C(=O)C(C)CCc2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is QFBLVUHZGIOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14-12-7-5-4-6-11(12)9-8-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one?
1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 58862212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).