11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one

C19H22N2O — CID 28424

IUPAC11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
SMILESCN(C)CCCN1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C19H22N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyPXHIRIWYXDUSMR-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.52
Rot. Bonds4

About 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one

11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one (PubChem CID 28424) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one.

Molecular Properties

Compound Name11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
PubChem CID28424
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
SMILESCN(C)CCCN1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C19H22N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyPXHIRIWYXDUSMR-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one?
The IUPAC name of 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one (CID 28424) is 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one.
What is the SMILES notation for 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one?
The canonical SMILES for 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one is CN(C)CCCN1c2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one?
The InChIKey is PXHIRIWYXDUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11H,7,12-14H2,1-2H3.
What are the key properties of 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one?
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one has a molecular weight of 294.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one is sourced from PubChem (CID 28424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).