6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione

C13H15NO3 — CID 82159073

IUPAC6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESCOc1cc(C)c(C)c2c1CCC(=O)NC2=O
InChIInChI=1S/C13H15NO3/c1-7-6-10(17-3)9-4-5-11(15)14-13(16)12(9)8(7)2/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWAYKQIAZSGMJLD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds1

About 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione

6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione (PubChem CID 82159073) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione.

Molecular Properties

Compound Name6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione
PubChem CID82159073
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESCOc1cc(C)c(C)c2c1CCC(=O)NC2=O
InChIInChI=1S/C13H15NO3/c1-7-6-10(17-3)9-4-5-11(15)14-13(16)12(9)8(7)2/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWAYKQIAZSGMJLD-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione?
The IUPAC name of 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione (CID 82159073) is 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione.
What is the SMILES notation for 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione?
The canonical SMILES for 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione is COc1cc(C)c(C)c2c1CCC(=O)NC2=O.
What is the InChIKey of 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione?
The InChIKey is WAYKQIAZSGMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-6-10(17-3)9-4-5-11(15)14-13(16)12(9)8(7)2/h6H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione?
6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione has a molecular weight of 233.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione is sourced from PubChem (CID 82159073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).