1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one

C14H19NO2 — CID 82176086

IUPAC1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-3-15-13-8-7-11(10(2)16)9-12(13)5-4-6-14(15)17/h7-10,16H,3-6H2,1-2H3
InChIKeyBLGOFEWMBLLILZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

About 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one

1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 82176086) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID82176086
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-3-15-13-8-7-11(10(2)16)9-12(13)5-4-6-14(15)17/h7-10,16H,3-6H2,1-2H3
InChIKeyBLGOFEWMBLLILZ-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 82176086) is 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one is CCN1C(=O)CCCc2cc(C(C)O)ccc21.
What is the InChIKey of 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is BLGOFEWMBLLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15-13-8-7-11(10(2)16)9-12(13)5-4-6-14(15)17/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 82176086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).