2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

C20H19NO — CID 158592287

IUPAC2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCCc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1
InChIInChI=1S/C20H19NO/c1-3-13-5-7-19-18(9-13)16-10-14-6-4-12(2)8-15(14)17(16)11-20(22)21-19/h4-9H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyXNHKPDKEOMOQRH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.37
Rot. Bonds1

About 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (PubChem CID 158592287) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
PubChem CID158592287
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCCc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1
InChIInChI=1S/C20H19NO/c1-3-13-5-7-19-18(9-13)16-10-14-6-4-12(2)8-15(14)17(16)11-20(22)21-19/h4-9H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyXNHKPDKEOMOQRH-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The IUPAC name of 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (CID 158592287) is 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.
What is the SMILES notation for 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The canonical SMILES for 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is CCc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.
What is the InChIKey of 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The InChIKey is XNHKPDKEOMOQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-13-5-7-19-18(9-13)16-10-14-6-4-12(2)8-15(14)17(16)11-20(22)21-19/h4-9H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one has a molecular weight of 289.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is sourced from PubChem (CID 158592287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).