1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one

C19H21NO — CID 746863

IUPAC1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H21NO/c1-19(2,3)18(21)20-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3
InChIKeyVGKXNIMVSZFWCO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.50
Rot. Bonds

About 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one (PubChem CID 746863) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one
PubChem CID746863
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H21NO/c1-19(2,3)18(21)20-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3
InChIKeyVGKXNIMVSZFWCO-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one (CID 746863) is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one?
The InChIKey is VGKXNIMVSZFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)18(21)20-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one?
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 746863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).