8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

C11H15NO — CID 20706175

IUPAC8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
SMILESCc1ccc2c(c1)CNCCCO2
InChIInChI=1S/C11H15NO/c1-9-3-4-11-10(7-9)8-12-5-2-6-13-11/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKFSYTIOWPYIARH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds

About 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (PubChem CID 20706175) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine.

Molecular Properties

Compound Name8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
PubChem CID20706175
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
SMILESCc1ccc2c(c1)CNCCCO2
InChIInChI=1S/C11H15NO/c1-9-3-4-11-10(7-9)8-12-5-2-6-13-11/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKFSYTIOWPYIARH-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The IUPAC name of 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (CID 20706175) is 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine.
What is the SMILES notation for 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The canonical SMILES for 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine is Cc1ccc2c(c1)CNCCCO2.
What is the InChIKey of 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The InChIKey is KFSYTIOWPYIARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-3-4-11-10(7-9)8-12-5-2-6-13-11/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine has a molecular weight of 177.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine is sourced from PubChem (CID 20706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).