3,4-dihydro-1-benzazocin-5-ol

C11H11NO — CID 131878649

IUPAC3,4-dihydro-1-benzazocin-5-ol
SMILESOC1=Cc2ccccc2/N=C\CC1
InChIInChI=1S/C11H11NO/c13-10-5-3-7-12-11-6-2-1-4-9(11)8-10/h1-2,4,6-8,13H,3,5H2/b10-8?,12-7-
InChIKeyPPEIOJOSPKOCAE-UIOPMXKISA-N
MW173.22 g/mol
LogP3.08
Rot. Bonds

About 3,4-dihydro-1-benzazocin-5-ol

3,4-dihydro-1-benzazocin-5-ol (PubChem CID 131878649) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3,4-dihydro-1-benzazocin-5-ol.

Molecular Properties

Compound Name3,4-dihydro-1-benzazocin-5-ol
PubChem CID131878649
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3,4-dihydro-1-benzazocin-5-ol
SMILESOC1=Cc2ccccc2/N=C\CC1
InChIInChI=1S/C11H11NO/c13-10-5-3-7-12-11-6-2-1-4-9(11)8-10/h1-2,4,6-8,13H,3,5H2/b10-8?,12-7-
InChIKeyPPEIOJOSPKOCAE-UIOPMXKISA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1-benzazocin-5-ol?
The IUPAC name of 3,4-dihydro-1-benzazocin-5-ol (CID 131878649) is 3,4-dihydro-1-benzazocin-5-ol.
What is the SMILES notation for 3,4-dihydro-1-benzazocin-5-ol?
The canonical SMILES for 3,4-dihydro-1-benzazocin-5-ol is OC1=Cc2ccccc2/N=C\CC1.
What is the InChIKey of 3,4-dihydro-1-benzazocin-5-ol?
The InChIKey is PPEIOJOSPKOCAE-UIOPMXKISA-N. The full InChI is InChI=1S/C11H11NO/c13-10-5-3-7-12-11-6-2-1-4-9(11)8-10/h1-2,4,6-8,13H,3,5H2/b10-8?,12-7-.
What are the key properties of 3,4-dihydro-1-benzazocin-5-ol?
3,4-dihydro-1-benzazocin-5-ol has a molecular weight of 173.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1-benzazocin-5-ol is sourced from PubChem (CID 131878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).