2-benzazocine

C11H9N — CID 54211489

IUPAC2-benzazocine
SMILESC1=C/C=N\C=c2ccccc2=C1
InChIInChI=1S/C11H9N/c1-2-7-11-9-12-8-4-3-6-10(11)5-1/h1-9H/b4-3?,6-3?,8-4?,10-6?,11-9?,12-8-,12-9?
InChIKeyPWGMNDXMXYIWNN-AQLGNVNISA-N
MW155.20 g/mol
LogP0.85
Rot. Bonds

About 2-benzazocine

2-benzazocine (PubChem CID 54211489) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-benzazocine.

Molecular Properties

Compound Name2-benzazocine
PubChem CID54211489
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name2-benzazocine
SMILESC1=C/C=N\C=c2ccccc2=C1
InChIInChI=1S/C11H9N/c1-2-7-11-9-12-8-4-3-6-10(11)5-1/h1-9H/b4-3?,6-3?,8-4?,10-6?,11-9?,12-8-,12-9?
InChIKeyPWGMNDXMXYIWNN-AQLGNVNISA-N
XLogP0.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzazocine?
The IUPAC name of 2-benzazocine (CID 54211489) is 2-benzazocine.
What is the SMILES notation for 2-benzazocine?
The canonical SMILES for 2-benzazocine is C1=C/C=N\C=c2ccccc2=C1.
What is the InChIKey of 2-benzazocine?
The InChIKey is PWGMNDXMXYIWNN-AQLGNVNISA-N. The full InChI is InChI=1S/C11H9N/c1-2-7-11-9-12-8-4-3-6-10(11)5-1/h1-9H/b4-3?,6-3?,8-4?,10-6?,11-9?,12-8-,12-9?.
What are the key properties of 2-benzazocine?
2-benzazocine has a molecular weight of 155.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzazocine is sourced from PubChem (CID 54211489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).