3-benzazocine

C11H9N — CID 19879720

IUPAC3-benzazocine
SMILESC1=C/N=C\C=c2ccccc2=C1
InChIInChI=1S/C11H9N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-9H/b6-3?,8-3?,9-7?,10-6?,11-7?,12-8?,12-9-
InChIKeyDMGLUDJTJZXMMG-UDIMLCTMSA-N
MW155.20 g/mol
LogP0.85
Rot. Bonds

About 3-benzazocine

3-benzazocine (PubChem CID 19879720) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-benzazocine.

Molecular Properties

Compound Name3-benzazocine
PubChem CID19879720
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name3-benzazocine
SMILESC1=C/N=C\C=c2ccccc2=C1
InChIInChI=1S/C11H9N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-9H/b6-3?,8-3?,9-7?,10-6?,11-7?,12-8?,12-9-
InChIKeyDMGLUDJTJZXMMG-UDIMLCTMSA-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 3-benzazocine?
The IUPAC name of 3-benzazocine (CID 19879720) is 3-benzazocine.
What is the SMILES notation for 3-benzazocine?
The canonical SMILES for 3-benzazocine is C1=C/N=C\C=c2ccccc2=C1.
What is the InChIKey of 3-benzazocine?
The InChIKey is DMGLUDJTJZXMMG-UDIMLCTMSA-N. The full InChI is InChI=1S/C11H9N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-9H/b6-3?,8-3?,9-7?,10-6?,11-7?,12-8?,12-9-.
What are the key properties of 3-benzazocine?
3-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 3-benzazocine is sourced from PubChem (CID 19879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).