5-methyl-7H-benzo[d][2]benzazepine

C15H13N — CID 134129091

IUPAC5-methyl-7H-benzo[d][2]benzazepine
SMILESCC1=NCc2ccccc2-c2ccccc21
InChIInChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3
InChIKeySXTIUHLTWSXWRK-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.68
Rot. Bonds

About 5-methyl-7H-benzo[d][2]benzazepine

5-methyl-7H-benzo[d][2]benzazepine (PubChem CID 134129091) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-7H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name5-methyl-7H-benzo[d][2]benzazepine
PubChem CID134129091
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name5-methyl-7H-benzo[d][2]benzazepine
SMILESCC1=NCc2ccccc2-c2ccccc21
InChIInChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3
InChIKeySXTIUHLTWSXWRK-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7H-benzo[d][2]benzazepine?
The IUPAC name of 5-methyl-7H-benzo[d][2]benzazepine (CID 134129091) is 5-methyl-7H-benzo[d][2]benzazepine.
What is the SMILES notation for 5-methyl-7H-benzo[d][2]benzazepine?
The canonical SMILES for 5-methyl-7H-benzo[d][2]benzazepine is CC1=NCc2ccccc2-c2ccccc21.
What is the InChIKey of 5-methyl-7H-benzo[d][2]benzazepine?
The InChIKey is SXTIUHLTWSXWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-7H-benzo[d][2]benzazepine?
5-methyl-7H-benzo[d][2]benzazepine has a molecular weight of 207.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7H-benzo[d][2]benzazepine is sourced from PubChem (CID 134129091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).