2,7-dihydro-2-benzazepin-6-one

C10H9NO — CID 67513094

IUPAC2,7-dihydro-2-benzazepin-6-one
SMILESO=C1CC=CC2=CNC=CC=C12
InChIInChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1-4,6-7,11H,5H2
InChIKeyFAKOOCJRLCUINZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.44
Rot. Bonds

About 2,7-dihydro-2-benzazepin-6-one

2,7-dihydro-2-benzazepin-6-one (PubChem CID 67513094) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,7-dihydro-2-benzazepin-6-one.

Molecular Properties

Compound Name2,7-dihydro-2-benzazepin-6-one
PubChem CID67513094
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,7-dihydro-2-benzazepin-6-one
SMILESO=C1CC=CC2=CNC=CC=C12
InChIInChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1-4,6-7,11H,5H2
InChIKeyFAKOOCJRLCUINZ-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydro-2-benzazepin-6-one?
The IUPAC name of 2,7-dihydro-2-benzazepin-6-one (CID 67513094) is 2,7-dihydro-2-benzazepin-6-one.
What is the SMILES notation for 2,7-dihydro-2-benzazepin-6-one?
The canonical SMILES for 2,7-dihydro-2-benzazepin-6-one is O=C1CC=CC2=CNC=CC=C12.
What is the InChIKey of 2,7-dihydro-2-benzazepin-6-one?
The InChIKey is FAKOOCJRLCUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1-4,6-7,11H,5H2.
What are the key properties of 2,7-dihydro-2-benzazepin-6-one?
2,7-dihydro-2-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-2-benzazepin-6-one is sourced from PubChem (CID 67513094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).