1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C13H16BrNO — CID 104558248

IUPAC1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESC=C(Br)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H16BrNO/c1-10(14)9-15-8-4-7-13(16)11-5-2-3-6-12(11)15/h2-3,5-6,13,16H,1,4,7-9H2
InChIKeyLBXOWAHUEIIPFF-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 104558248) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID104558248
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESC=C(Br)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H16BrNO/c1-10(14)9-15-8-4-7-13(16)11-5-2-3-6-12(11)15/h2-3,5-6,13,16H,1,4,7-9H2
InChIKeyLBXOWAHUEIIPFF-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 104558248) is 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is C=C(Br)CN1CCCC(O)c2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is LBXOWAHUEIIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10(14)9-15-8-4-7-13(16)11-5-2-3-6-12(11)15/h2-3,5-6,13,16H,1,4,7-9H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 282.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 104558248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).