(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one

C19H19NO2 — CID 160690273

IUPAC(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
SMILESC[C@@H]1CC(=O)Cc2cccc(C3Cc4ccccc4O3)c2N1
InChIInChI=1S/C19H19NO2/c1-12-9-15(21)10-14-6-4-7-16(19(14)20-12)18-11-13-5-2-3-8-17(13)22-18/h2-8,12,18,20H,9-11H2,1H3/t12-,18?/m1/s1
InChIKeyJKTZVGMKZJMTQX-GKOGFXNCSA-N
MW293.37 g/mol
LogP3.68
Rot. Bonds1

About (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one

(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one (PubChem CID 160690273) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one.

Molecular Properties

Compound Name(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
PubChem CID160690273
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
SMILESC[C@@H]1CC(=O)Cc2cccc(C3Cc4ccccc4O3)c2N1
InChIInChI=1S/C19H19NO2/c1-12-9-15(21)10-14-6-4-7-16(19(14)20-12)18-11-13-5-2-3-8-17(13)22-18/h2-8,12,18,20H,9-11H2,1H3/t12-,18?/m1/s1
InChIKeyJKTZVGMKZJMTQX-GKOGFXNCSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The IUPAC name of (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one (CID 160690273) is (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one.
What is the SMILES notation for (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The canonical SMILES for (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one is C[C@@H]1CC(=O)Cc2cccc(C3Cc4ccccc4O3)c2N1.
What is the InChIKey of (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The InChIKey is JKTZVGMKZJMTQX-GKOGFXNCSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-9-15(21)10-14-6-4-7-16(19(14)20-12)18-11-13-5-2-3-8-17(13)22-18/h2-8,12,18,20H,9-11H2,1H3/t12-,18?/m1/s1.
What are the key properties of (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one?
(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one is sourced from PubChem (CID 160690273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).