7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

C11H14N2O2 — CID 71755958

IUPAC7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1cc2c(cc1N)CCCC(=O)N2
InChIInChI=1S/C11H14N2O2/c1-15-10-6-9-7(5-8(10)12)3-2-4-11(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyOUSRKCLRMYOXBS-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.55
Rot. Bonds1

About 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 71755958) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID71755958
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1cc2c(cc1N)CCCC(=O)N2
InChIInChI=1S/C11H14N2O2/c1-15-10-6-9-7(5-8(10)12)3-2-4-11(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyOUSRKCLRMYOXBS-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fast Violet B
CID 66830
6-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CID 9942361
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363
Benzenediazonium, 4-(benzoylamino)-2-methoxy-5-methyl-
CID 119712
N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 797118
4-tert-butyl-N-(8-methoxy-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-7-yl)benzamide
CID 140896284
4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
CID 140896302
Acetamide, N-(2-methoxy-5-methyl-4-nitrophenyl)-
CID 92546
N,N'-(2-methoxy-1,4-phenylene)bis(2-phenylacetamide)
CID 1287202
N-(2-methoxy-5-methylphenyl)nonanamide
CID 4194525
N-(4-amino-2-methoxy-5-methylphenyl)acetamide
CID 794131
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 968646

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 71755958) is 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is COc1cc2c(cc1N)CCCC(=O)N2.
What is the InChIKey of 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is OUSRKCLRMYOXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-10-6-9-7(5-8(10)12)3-2-4-11(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 71755958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).