5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one

C17H20N2O2 — CID 54083605

IUPAC5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one
SMILESCONc1cc(C2CCCCC2)c2ccccc2nc1=O
InChIInChI=1S/C17H20N2O2/c1-21-19-16-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)18-17(16)20/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyMOVZPOMJLPUIOJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.62
Rot. Bonds3

About 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one

5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one (PubChem CID 54083605) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one.

Molecular Properties

Compound Name5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one
PubChem CID54083605
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one
SMILESCONc1cc(C2CCCCC2)c2ccccc2nc1=O
InChIInChI=1S/C17H20N2O2/c1-21-19-16-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)18-17(16)20/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyMOVZPOMJLPUIOJ-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one?
The IUPAC name of 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one (CID 54083605) is 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one.
What is the SMILES notation for 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one?
The canonical SMILES for 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one is CONc1cc(C2CCCCC2)c2ccccc2nc1=O.
What is the InChIKey of 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one?
The InChIKey is MOVZPOMJLPUIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-19-16-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)18-17(16)20/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one?
5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one is sourced from PubChem (CID 54083605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).