7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one

C13H18N2O2 — CID 67264241

IUPAC7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2c1ccc(N)c2OC
InChIInChI=1S/C13H18N2O2/c1-3-15-11-8-7-10(14)13(17-2)9(11)5-4-6-12(15)16/h7-8H,3-6,14H2,1-2H3
InChIKeyPEAYSXRPAIBGBO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.97
Rot. Bonds2

About 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one

7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 67264241) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID67264241
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCN1C(=O)CCCc2c1ccc(N)c2OC
InChIInChI=1S/C13H18N2O2/c1-3-15-11-8-7-10(14)13(17-2)9(11)5-4-6-12(15)16/h7-8H,3-6,14H2,1-2H3
InChIKeyPEAYSXRPAIBGBO-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one (CID 67264241) is 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one is CCN1C(=O)CCCc2c1ccc(N)c2OC.
What is the InChIKey of 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is PEAYSXRPAIBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-15-11-8-7-10(14)13(17-2)9(11)5-4-6-12(15)16/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one?
7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 67264241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).