1,6-dihydro-1-benzazepin-7-one

C10H9NO — CID 141012239

IUPAC1,6-dihydro-1-benzazepin-7-one
SMILESO=C1C=CC2=C(C=CC=CN2)C1
InChIInChI=1S/C10H9NO/c12-9-4-5-10-8(7-9)3-1-2-6-11-10/h1-6,11H,7H2
InChIKeyUEYMXECRFSQDDA-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.44
Rot. Bonds

About 1,6-dihydro-1-benzazepin-7-one

1,6-dihydro-1-benzazepin-7-one (PubChem CID 141012239) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,6-dihydro-1-benzazepin-7-one.

Molecular Properties

Compound Name1,6-dihydro-1-benzazepin-7-one
PubChem CID141012239
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1,6-dihydro-1-benzazepin-7-one
SMILESO=C1C=CC2=C(C=CC=CN2)C1
InChIInChI=1S/C10H9NO/c12-9-4-5-10-8(7-9)3-1-2-6-11-10/h1-6,11H,7H2
InChIKeyUEYMXECRFSQDDA-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 1,6-dihydro-1-benzazepin-7-one?
The IUPAC name of 1,6-dihydro-1-benzazepin-7-one (CID 141012239) is 1,6-dihydro-1-benzazepin-7-one.
What is the SMILES notation for 1,6-dihydro-1-benzazepin-7-one?
The canonical SMILES for 1,6-dihydro-1-benzazepin-7-one is O=C1C=CC2=C(C=CC=CN2)C1.
What is the InChIKey of 1,6-dihydro-1-benzazepin-7-one?
The InChIKey is UEYMXECRFSQDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-9-4-5-10-8(7-9)3-1-2-6-11-10/h1-6,11H,7H2.
What are the key properties of 1,6-dihydro-1-benzazepin-7-one?
1,6-dihydro-1-benzazepin-7-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 1,6-dihydro-1-benzazepin-7-one is sourced from PubChem (CID 141012239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).