3,9-dimethyl-11H-benzo[b][1]benzazepine

C16H15N — CID 67522497

IUPAC3,9-dimethyl-11H-benzo[b][1]benzazepine
SMILESCc1ccc2c(c1)C=Cc1ccc(C)cc1N2
InChIInChI=1S/C16H15N/c1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)17-15/h3-10,17H,1-2H3
InChIKeyFLLUJESNFKTSND-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.53
Rot. Bonds

About 3,9-dimethyl-11H-benzo[b][1]benzazepine

3,9-dimethyl-11H-benzo[b][1]benzazepine (PubChem CID 67522497) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,9-dimethyl-11H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name3,9-dimethyl-11H-benzo[b][1]benzazepine
PubChem CID67522497
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3,9-dimethyl-11H-benzo[b][1]benzazepine
SMILESCc1ccc2c(c1)C=Cc1ccc(C)cc1N2
InChIInChI=1S/C16H15N/c1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)17-15/h3-10,17H,1-2H3
InChIKeyFLLUJESNFKTSND-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-11H-benzo[b][1]benzazepine?
The IUPAC name of 3,9-dimethyl-11H-benzo[b][1]benzazepine (CID 67522497) is 3,9-dimethyl-11H-benzo[b][1]benzazepine.
What is the SMILES notation for 3,9-dimethyl-11H-benzo[b][1]benzazepine?
The canonical SMILES for 3,9-dimethyl-11H-benzo[b][1]benzazepine is Cc1ccc2c(c1)C=Cc1ccc(C)cc1N2.
What is the InChIKey of 3,9-dimethyl-11H-benzo[b][1]benzazepine?
The InChIKey is FLLUJESNFKTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)17-15/h3-10,17H,1-2H3.
What are the key properties of 3,9-dimethyl-11H-benzo[b][1]benzazepine?
3,9-dimethyl-11H-benzo[b][1]benzazepine has a molecular weight of 221.30 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-11H-benzo[b][1]benzazepine is sourced from PubChem (CID 67522497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).