5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one

C16H13NO — CID 21050637

IUPAC5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
SMILESC=C1c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H13NO/c1-11-12-7-3-4-9-14(12)16(18)17(2)15-10-6-5-8-13(11)15/h3-10H,1H2,2H3
InChIKeyCZQFCTUZSYAAGX-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.34
Rot. Bonds

About 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one

5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one (PubChem CID 21050637) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
PubChem CID21050637
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
SMILESC=C1c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H13NO/c1-11-12-7-3-4-9-14(12)16(18)17(2)15-10-6-5-8-13(11)15/h3-10H,1H2,2H3
InChIKeyCZQFCTUZSYAAGX-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The IUPAC name of 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one (CID 21050637) is 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The canonical SMILES for 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one is C=C1c2ccccc2C(=O)N(C)c2ccccc21.
What is the InChIKey of 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
The InChIKey is CZQFCTUZSYAAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-12-7-3-4-9-14(12)16(18)17(2)15-10-6-5-8-13(11)15/h3-10H,1H2,2H3.
What are the key properties of 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one?
5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one has a molecular weight of 235.29 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 21050637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).