5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C19H21NO — CID 15111052

IUPAC5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESC=CCN1CCc2ccc(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2
InChIKeyFLGIMBZCSIRTIL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.57
Rot. Bonds3

About 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 15111052) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID15111052
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESC=CCN1CCc2ccc(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2
InChIKeyFLGIMBZCSIRTIL-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 15111052) is 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is C=CCN1CCc2ccc(O)cc2C(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is FLGIMBZCSIRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2.
What are the key properties of 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 279.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 15111052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).