8-methoxy-1,3-dihydro-3-benzazepin-2-one

C11H11NO2 — CID 4220093

IUPAC8-methoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCOc1ccc2c(c1)CC(=O)NC=C2
InChIInChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyOQNNFDKEVAURGV-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.34
Rot. Bonds1

About 8-methoxy-1,3-dihydro-3-benzazepin-2-one

8-methoxy-1,3-dihydro-3-benzazepin-2-one (PubChem CID 4220093) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 8-methoxy-1,3-dihydro-3-benzazepin-2-one.

Molecular Properties

Compound Name8-methoxy-1,3-dihydro-3-benzazepin-2-one
PubChem CID4220093
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name8-methoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCOc1ccc2c(c1)CC(=O)NC=C2
InChIInChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyOQNNFDKEVAURGV-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,3-dihydro-3-benzazepin-2-one?
The IUPAC name of 8-methoxy-1,3-dihydro-3-benzazepin-2-one (CID 4220093) is 8-methoxy-1,3-dihydro-3-benzazepin-2-one.
What is the SMILES notation for 8-methoxy-1,3-dihydro-3-benzazepin-2-one?
The canonical SMILES for 8-methoxy-1,3-dihydro-3-benzazepin-2-one is COc1ccc2c(c1)CC(=O)NC=C2.
What is the InChIKey of 8-methoxy-1,3-dihydro-3-benzazepin-2-one?
The InChIKey is OQNNFDKEVAURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 8-methoxy-1,3-dihydro-3-benzazepin-2-one?
8-methoxy-1,3-dihydro-3-benzazepin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,3-dihydro-3-benzazepin-2-one is sourced from PubChem (CID 4220093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).