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

C13H17NO — CID 4673107

IUPAC5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCCC1C(=O)N(C)CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-11-12-7-5-4-6-10(12)8-9-14(2)13(11)15/h4-7,11H,3,8-9H2,1-2H3
InChIKeyJOYXRNAPLOGJCB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.19
Rot. Bonds1

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

5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 4673107) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID4673107
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCCC1C(=O)N(C)CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-11-12-7-5-4-6-10(12)8-9-14(2)13(11)15/h4-7,11H,3,8-9H2,1-2H3
InChIKeyJOYXRNAPLOGJCB-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 4673107) is 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is CCC1C(=O)N(C)CCc2ccccc21.
What is the InChIKey of 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is JOYXRNAPLOGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-11-12-7-5-4-6-10(12)8-9-14(2)13(11)15/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 203.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 4673107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).