10aH-2-benzazocin-3-one

C11H9NO — CID 123396627

IUPAC10aH-2-benzazocin-3-one
SMILESO=C1C=CC=C2C=CC=CC2/C=N\1
InChIInChI=1S/C11H9NO/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11/h1-8,10H/b7-3?,9-6?,12-8-
InChIKeyWGKHPDKFNUOPTA-PKXQWBKXSA-N
MW171.20 g/mol
LogP1.82
Rot. Bonds

About 10aH-2-benzazocin-3-one

10aH-2-benzazocin-3-one (PubChem CID 123396627) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 10aH-2-benzazocin-3-one.

Molecular Properties

Compound Name10aH-2-benzazocin-3-one
PubChem CID123396627
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name10aH-2-benzazocin-3-one
SMILESO=C1C=CC=C2C=CC=CC2/C=N\1
InChIInChI=1S/C11H9NO/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11/h1-8,10H/b7-3?,9-6?,12-8-
InChIKeyWGKHPDKFNUOPTA-PKXQWBKXSA-N
XLogP1.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-fluoro-8aH-isoquinolin-3-one
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6aH-3-benzazocin-4-one
CID 54522036
(1Z,5Z)-6aH-3-benzazocin-4-one
CID 70543314
5-Methylidenepyridin-2-one
CID 74059266
Cyclohepta[c]pyridin-3-one
CID 162167537
6-methyl-8aH-isoquinolin-3-one
CID 72218700
5-Cyclobutylpyridin-2(1h)-one
CID 75132418
6-chloro-8aH-isoquinolin-3-one
CID 77306234
7-chloro-8aH-isoquinolin-3-one
CID 77306279
8aH-isoquinolin-3-one
CID 77416988

Frequently Asked Questions

What is the IUPAC name of 10aH-2-benzazocin-3-one?
The IUPAC name of 10aH-2-benzazocin-3-one (CID 123396627) is 10aH-2-benzazocin-3-one.
What is the SMILES notation for 10aH-2-benzazocin-3-one?
The canonical SMILES for 10aH-2-benzazocin-3-one is O=C1C=CC=C2C=CC=CC2/C=N\1.
What is the InChIKey of 10aH-2-benzazocin-3-one?
The InChIKey is WGKHPDKFNUOPTA-PKXQWBKXSA-N. The full InChI is InChI=1S/C11H9NO/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11/h1-8,10H/b7-3?,9-6?,12-8-.
What are the key properties of 10aH-2-benzazocin-3-one?
10aH-2-benzazocin-3-one has a molecular weight of 171.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-2-benzazocin-3-one is sourced from PubChem (CID 123396627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).