5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol

C11H15NO2 — CID 126650795

IUPAC5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol
SMILESCOC1(O)CNCCc2ccccc21
InChIInChI=1S/C11H15NO2/c1-14-11(13)8-12-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyPMMUZSOFLDJLEJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.62
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol

5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol (PubChem CID 126650795) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol
PubChem CID126650795
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol
SMILESCOC1(O)CNCCc2ccccc21
InChIInChI=1S/C11H15NO2/c1-14-11(13)8-12-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyPMMUZSOFLDJLEJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol (CID 126650795) is 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol is COC1(O)CNCCc2ccccc21.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The InChIKey is PMMUZSOFLDJLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)8-12-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol has a molecular weight of 193.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol is sourced from PubChem (CID 126650795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).