1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one

C10H15NO — CID 14570429

IUPAC1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one
SMILESO=C1C=C2NCCCCC2CC1
InChIInChI=1S/C10H15NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h7-8,11H,1-6H2
InChIKeyLENPJDDPEZMZGX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds

About 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one

1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one (PubChem CID 14570429) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one.

Molecular Properties

Compound Name1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one
PubChem CID14570429
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one
SMILESO=C1C=C2NCCCCC2CC1
InChIInChI=1S/C10H15NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h7-8,11H,1-6H2
InChIKeyLENPJDDPEZMZGX-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one?
The IUPAC name of 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one (CID 14570429) is 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one.
What is the SMILES notation for 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one?
The canonical SMILES for 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one is O=C1C=C2NCCCCC2CC1.
What is the InChIKey of 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one?
The InChIKey is LENPJDDPEZMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h7-8,11H,1-6H2.
What are the key properties of 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one?
1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one has a molecular weight of 165.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5a,6,7-octahydro-1-benzazepin-8-one is sourced from PubChem (CID 14570429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).