5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one

C15H16N2O — CID 69497384

IUPAC5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one
SMILESCC1C(=O)N(N)C2CC=CC=C2c2ccccc21
InChIInChI=1S/C15H16N2O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18/h2-8,10,14H,9,16H2,1H3
InChIKeyVEAMNWGTNQOOBJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.22
Rot. Bonds

About 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one

5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one (PubChem CID 69497384) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one
PubChem CID69497384
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one
SMILESCC1C(=O)N(N)C2CC=CC=C2c2ccccc21
InChIInChI=1S/C15H16N2O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18/h2-8,10,14H,9,16H2,1H3
InChIKeyVEAMNWGTNQOOBJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.22
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

5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
CID 22288243
1,9,10,10a-tetrahydrophenanthren-9-amine
CID 70670077
4,4a-dihydrothioxanthen-9-one
CID 71107851
8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
CID 90847264
1-benzyl-7,7a-dihydroindole-2,3-dione
CID 69113577
7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780327
3-methyl-3a,4-dihydro-1,3-benzoxazol-2-one
CID 173056970
ethane;methane;8-methyl-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
CID 159906270
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
10-hydroxy-9a,10-dihydro-1H-anthracen-9-one
CID 163837296
2-(2-oxo-1,3,4,5,5a,6-hexahydro-1-benzazepin-3-yl)isoindole-1,3-dione
CID 175194064

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one?
The IUPAC name of 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one (CID 69497384) is 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one is CC1C(=O)N(N)C2CC=CC=C2c2ccccc21.
What is the InChIKey of 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one?
The InChIKey is VEAMNWGTNQOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17(16)15(10)18/h2-8,10,14H,9,16H2,1H3.
What are the key properties of 5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one?
5-amino-7-methyl-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one has a molecular weight of 240.31 g/mol, XLogP of 2.22, 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-4a,7-dihydro-4H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 69497384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).