7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one

C10H11NO2 — CID 10725983

IUPAC7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(O)ccc21
InChIInChI=1S/C10H11NO2/c12-8-3-4-9-7(6-8)2-1-5-11-10(9)13/h3-4,6,12H,1-2,5H2,(H,11,13)
InChIKeyHUOLEFRDUFKJJX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds

About 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one

7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 10725983) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID10725983
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(O)ccc21
InChIInChI=1S/C10H11NO2/c12-8-3-4-9-7(6-8)2-1-5-11-10(9)13/h3-4,6,12H,1-2,5H2,(H,11,13)
InChIKeyHUOLEFRDUFKJJX-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 10725983) is 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2cc(O)ccc21.
What is the InChIKey of 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is HUOLEFRDUFKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-8-3-4-9-7(6-8)2-1-5-11-10(9)13/h3-4,6,12H,1-2,5H2,(H,11,13).
What are the key properties of 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one?
7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 10725983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).