2,3,4,5-tetrahydro-1H-2-benzazepin-1-one

C10H11NO — CID 11240655

IUPAC2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESC1CC2=CC=CC=C2C(=O)NC1
InChIInChI=1S/C10H11NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKeyWWQPGNZHJFFKRW-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.60
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one

2,3,4,5-tetrahydro-1H-2-benzazepin-1-one (PubChem CID 11240655) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
PubChem CID11240655
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESC1CC2=CC=CC=C2C(=O)NC1
InChIInChI=1S/C10H11NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKeyWWQPGNZHJFFKRW-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one?
The IUPAC name of 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one (CID 11240655) is 2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one is C1CC2=CC=CC=C2C(=O)NC1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one?
The InChIKey is WWQPGNZHJFFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-2,4,6H,3,5,7H2,(H,11,12).
What are the key properties of 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one?
2,3,4,5-tetrahydro-1H-2-benzazepin-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-2-benzazepin-1-one is sourced from PubChem (CID 11240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).