5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride

C15H15ClN2O — CID 22288243

IUPAC5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
SMILESCC1C(=O)N(N)c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C15H14N2O.ClH/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18;/h2-10H,16H2,1H3;1H
InChIKeyAAWVIKCQLMQGMX-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.10
Rot. Bonds

About 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride

5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride (PubChem CID 22288243) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
PubChem CID22288243
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
SMILESCC1C(=O)N(N)c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C15H14N2O.ClH/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18;/h2-10H,16H2,1H3;1H
InChIKeyAAWVIKCQLMQGMX-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Morphanthridinone
CID 286518
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide
CID 787497
8-Azatricyclo[9.4.0.0,2,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
CID 11367798
N-(2,3-dimethylphenyl)-2-phenylbutanamide
CID 2853103
N-phenylbenzohydrazide
CID 288074
1-Benzoyl-1-phenylhydrazine hydrochloride
CID 12197222
N-(2-methylphenyl)-2-phenylbutanamide
CID 2904765
5-Methyl-4,5-dihydro-1h-1-benzazepin-2(3h)-one
CID 13173332
3-Phenyl-1,3,4,5-tetrahydro-[1]benzazepin-2-one
CID 13953462
5-Phenyl-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one
CID 14873022
Hydrocinnamic phenylhydrazide
CID 17940375
2h-1-Benzazepin-2-one,1,3,4,5-tetrahydro-4-phenyl-
CID 21543863

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride?
The IUPAC name of 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride (CID 22288243) is 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride?
The canonical SMILES for 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride is CC1C(=O)N(N)c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride?
The InChIKey is AAWVIKCQLMQGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.ClH/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18;/h2-10H,16H2,1H3;1H.
What are the key properties of 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride?
5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride is sourced from PubChem (CID 22288243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).