7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one

C18H19NO — CID 58780327

IUPAC7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
SMILESCC1C(=O)N(C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO/c1-12(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)13(3)18(19)20/h4-13H,1-3H3
InChIKeyDCTJEEGYUOJCDX-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.21
Rot. Bonds1

About 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one

7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one (PubChem CID 58780327) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
PubChem CID58780327
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
SMILESCC1C(=O)N(C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO/c1-12(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)13(3)18(19)20/h4-13H,1-3H3
InChIKeyDCTJEEGYUOJCDX-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The IUPAC name of 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one (CID 58780327) is 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one is CC1C(=O)N(C(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The InChIKey is DCTJEEGYUOJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)19-17-11-7-6-10-16(17)15-9-5-4-8-14(15)13(3)18(19)20/h4-13H,1-3H3.
What are the key properties of 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one has a molecular weight of 265.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 58780327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).