2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one

C16H14N2O — CID 71457060

IUPAC2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
SMILESC=C1c2ccccc2C(=O)N(C)c2ccc(N)cc21
InChIInChI=1S/C16H14N2O/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17)9-14(10)15/h3-9H,1,17H2,2H3
InChIKeyGLKYAQGIJQCRPH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.92
Rot. Bonds

About 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one

2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one (PubChem CID 71457060) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
PubChem CID71457060
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
SMILESC=C1c2ccccc2C(=O)N(C)c2ccc(N)cc21
InChIInChI=1S/C16H14N2O/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17)9-14(10)15/h3-9H,1,17H2,2H3
InChIKeyGLKYAQGIJQCRPH-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The IUPAC name of 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one (CID 71457060) is 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The canonical SMILES for 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one is C=C1c2ccccc2C(=O)N(C)c2ccc(N)cc21.
What is the InChIKey of 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The InChIKey is GLKYAQGIJQCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-12-5-3-4-6-13(12)16(19)18(2)15-8-7-11(17)9-14(10)15/h3-9H,1,17H2,2H3.
What are the key properties of 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one has a molecular weight of 250.30 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 71457060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).