3-benzazocin-10-ol

C11H9NO — CID 90759616

IUPAC3-benzazocin-10-ol
SMILESOc1cccc2c1=C/C=N\C=CC=2
InChIInChI=1S/C11H9NO/c13-11-5-1-3-9-4-2-7-12-8-6-10(9)11/h1-8,13H/b4-2?,7-2?,8-6?,9-4?,10-6?,12-7?,12-8-
InChIKeyUTSKJHNVJONWPY-QCFHMTKYSA-N
MW171.20 g/mol
LogP0.55
Rot. Bonds

About 3-benzazocin-10-ol

3-benzazocin-10-ol (PubChem CID 90759616) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-benzazocin-10-ol.

Molecular Properties

Compound Name3-benzazocin-10-ol
PubChem CID90759616
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-benzazocin-10-ol
SMILESOc1cccc2c1=C/C=N\C=CC=2
InChIInChI=1S/C11H9NO/c13-11-5-1-3-9-4-2-7-12-8-6-10(9)11/h1-8,13H/b4-2?,7-2?,8-6?,9-4?,10-6?,12-7?,12-8-
InChIKeyUTSKJHNVJONWPY-QCFHMTKYSA-N
XLogP0.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4H-2-benzazepin-6-ol
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7H-cycloocta[b]pyridin-9-ol
CID 123188476
6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
CID 126733806
Indeno[1,2-c]pyrrole-5,6-diol;hydrobromide
CID 141550511
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CID 145195522
2H-1,4-benzodiazepin-6-ol
CID 161610404
(2Z,4Z,6Z)-1-benzazocin-8-ol
CID 23638151
(2Z,4Z,6Z)-1-benzazocin-9-ol
CID 136336110
Benzazocin-9-ol hydrochloride
CID 137224652
Indeno[1,2-c]pyrrole-5,6-diol
CID 141550512

Frequently Asked Questions

What is the IUPAC name of 3-benzazocin-10-ol?
The IUPAC name of 3-benzazocin-10-ol (CID 90759616) is 3-benzazocin-10-ol.
What is the SMILES notation for 3-benzazocin-10-ol?
The canonical SMILES for 3-benzazocin-10-ol is Oc1cccc2c1=C/C=N\C=CC=2.
What is the InChIKey of 3-benzazocin-10-ol?
The InChIKey is UTSKJHNVJONWPY-QCFHMTKYSA-N. The full InChI is InChI=1S/C11H9NO/c13-11-5-1-3-9-4-2-7-12-8-6-10(9)11/h1-8,13H/b4-2?,7-2?,8-6?,9-4?,10-6?,12-7?,12-8-.
What are the key properties of 3-benzazocin-10-ol?
3-benzazocin-10-ol has a molecular weight of 171.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzazocin-10-ol is sourced from PubChem (CID 90759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).