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

C12H11NO3 — CID 22462188

IUPAC7,8-dimethoxy-3-benzazepin-2-one
SMILESCOc1cc2ccnc(=O)cc2cc1OC
InChIInChI=1S/C12H11NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-7H,1-2H3
InChIKeyKLCMEUJCIYXCHD-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.61
Rot. Bonds2

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

7,8-dimethoxy-3-benzazepin-2-one (PubChem CID 22462188) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 7,8-dimethoxy-3-benzazepin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-3-benzazepin-2-one
PubChem CID22462188
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name7,8-dimethoxy-3-benzazepin-2-one
SMILESCOc1cc2ccnc(=O)cc2cc1OC
InChIInChI=1S/C12H11NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-7H,1-2H3
InChIKeyKLCMEUJCIYXCHD-UHFFFAOYSA-N
XLogP1.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-benzazepin-2-one?
The IUPAC name of 7,8-dimethoxy-3-benzazepin-2-one (CID 22462188) is 7,8-dimethoxy-3-benzazepin-2-one.
What is the SMILES notation for 7,8-dimethoxy-3-benzazepin-2-one?
The canonical SMILES for 7,8-dimethoxy-3-benzazepin-2-one is COc1cc2ccnc(=O)cc2cc1OC.
What is the InChIKey of 7,8-dimethoxy-3-benzazepin-2-one?
The InChIKey is KLCMEUJCIYXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-7H,1-2H3.
What are the key properties of 7,8-dimethoxy-3-benzazepin-2-one?
7,8-dimethoxy-3-benzazepin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-benzazepin-2-one is sourced from PubChem (CID 22462188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).