7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one

C12H13NO3 — CID 1482373

IUPAC7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)NC=C2
InChIInChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyCPNZASIAJKSBBH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.35
Rot. Bonds2

About 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one

7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one (PubChem CID 1482373) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
PubChem CID1482373
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)NC=C2
InChIInChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyCPNZASIAJKSBBH-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one?
The IUPAC name of 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one (CID 1482373) is 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one.
What is the SMILES notation for 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one?
The canonical SMILES for 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one is COc1cc2c(cc1OC)CC(=O)NC=C2.
What is the InChIKey of 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one?
The InChIKey is CPNZASIAJKSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one?
7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one is sourced from PubChem (CID 1482373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).