1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one

C16H24N2O — CID 114336724

IUPAC1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCCN(CC)CCN1CCCC(=O)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-17(4-2)12-13-18-11-7-10-16(19)14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyQFZJVRQMRHIYSE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one

1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336724) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336724
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCCN(CC)CCN1CCCC(=O)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-17(4-2)12-13-18-11-7-10-16(19)14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyQFZJVRQMRHIYSE-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336724) is 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one is CCN(CC)CCN1CCCC(=O)c2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is QFZJVRQMRHIYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-17(4-2)12-13-18-11-7-10-16(19)14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one?
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 260.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).