11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine

C15H15NO — CID 102106575

IUPAC11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
SMILESCN1Cc2ccccc2Oc2ccccc2C1
InChIInChI=1S/C15H15NO/c1-16-10-12-6-2-4-8-14(12)17-15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3
InChIKeyQVLFQUDARGTYKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.42
Rot. Bonds

About 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine

11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine (PubChem CID 102106575) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine.

Molecular Properties

Compound Name11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
PubChem CID102106575
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
SMILESCN1Cc2ccccc2Oc2ccccc2C1
InChIInChI=1S/C15H15NO/c1-16-10-12-6-2-4-8-14(12)17-15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3
InChIKeyQVLFQUDARGTYKH-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine?
The IUPAC name of 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine (CID 102106575) is 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine.
What is the SMILES notation for 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine?
The canonical SMILES for 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine is CN1Cc2ccccc2Oc2ccccc2C1.
What is the InChIKey of 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine?
The InChIKey is QVLFQUDARGTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-16-10-12-6-2-4-8-14(12)17-15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3.
What are the key properties of 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine?
11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine has a molecular weight of 225.29 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine is sourced from PubChem (CID 102106575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).