3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

C15H13NO — CID 102201701

IUPAC3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCc1ccc2c(c1)NC(=O)Cc1ccccc1-2
InChIInChI=1S/C15H13NO/c1-10-6-7-13-12-5-3-2-4-11(12)9-15(17)16-14(13)8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNYBOHEVOLIQQQE-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.16
Rot. Bonds

About 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (PubChem CID 102201701) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
PubChem CID102201701
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCc1ccc2c(c1)NC(=O)Cc1ccccc1-2
InChIInChI=1S/C15H13NO/c1-10-6-7-13-12-5-3-2-4-11(12)9-15(17)16-14(13)8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNYBOHEVOLIQQQE-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The IUPAC name of 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (CID 102201701) is 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The canonical SMILES for 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is Cc1ccc2c(c1)NC(=O)Cc1ccccc1-2.
What is the InChIKey of 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The InChIKey is NYBOHEVOLIQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-6-7-13-12-5-3-2-4-11(12)9-15(17)16-14(13)8-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one has a molecular weight of 223.28 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 102201701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).