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

C12H15NO — CID 1474987

IUPAC1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12(13)14/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyITDSBKHGQYOLGO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds1

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

1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 1474987) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID1474987
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12(13)14/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyITDSBKHGQYOLGO-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 1474987) is 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one is CCN1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is ITDSBKHGQYOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12(13)14/h3-4,6,8H,2,5,7,9H2,1H3.
What are the key properties of 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one?
1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 1474987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).