7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione

C11H11NO3 — CID 139792157

IUPAC7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione
SMILESCOc1ccc2c(c1)C(=O)CC(=O)CN2
InChIInChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)11(14)4-7(13)6-12-10/h2-3,5,12H,4,6H2,1H3
InChIKeyOBQBBJDBJMOWNS-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.26
Rot. Bonds1

About 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione

7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione (PubChem CID 139792157) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione.

Molecular Properties

Compound Name7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione
PubChem CID139792157
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione
SMILESCOc1ccc2c(c1)C(=O)CC(=O)CN2
InChIInChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)11(14)4-7(13)6-12-10/h2-3,5,12H,4,6H2,1H3
InChIKeyOBQBBJDBJMOWNS-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
CID 175999175
7-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217347
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
CID 57074015
7-methoxy-10H-phenanthren-9-one
CID 135042116
methyl (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-3-carboxylate
CID 71739247
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
CID 84656764
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
CID 134913718
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione?
The IUPAC name of 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione (CID 139792157) is 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione.
What is the SMILES notation for 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione?
The canonical SMILES for 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione is COc1ccc2c(c1)C(=O)CC(=O)CN2.
What is the InChIKey of 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione?
The InChIKey is OBQBBJDBJMOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)11(14)4-7(13)6-12-10/h2-3,5,12H,4,6H2,1H3.
What are the key properties of 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione?
7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione has a molecular weight of 205.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione is sourced from PubChem (CID 139792157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).