5H-1-benzazocin-6-one

C11H9NO — CID 68704953

IUPAC5H-1-benzazocin-6-one
SMILESO=C1CC=C/C=N\c2ccccc21
InChIInChI=1S/C11H9NO/c13-11-7-3-4-8-12-10-6-2-1-5-9(10)11/h1-6,8H,7H2/b4-3?,12-8-
InChIKeyBFBKWBVHEALGIS-SMVYRRPNSA-N
MW171.20 g/mol
LogP2.53
Rot. Bonds

About 5H-1-benzazocin-6-one

5H-1-benzazocin-6-one (PubChem CID 68704953) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5H-1-benzazocin-6-one.

Molecular Properties

Compound Name5H-1-benzazocin-6-one
PubChem CID68704953
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5H-1-benzazocin-6-one
SMILESO=C1CC=C/C=N\c2ccccc21
InChIInChI=1S/C11H9NO/c13-11-7-3-4-8-12-10-6-2-1-5-9(10)11/h1-6,8H,7H2/b4-3?,12-8-
InChIKeyBFBKWBVHEALGIS-SMVYRRPNSA-N
XLogP2.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-1-benzazocin-6-one?
The IUPAC name of 5H-1-benzazocin-6-one (CID 68704953) is 5H-1-benzazocin-6-one.
What is the SMILES notation for 5H-1-benzazocin-6-one?
The canonical SMILES for 5H-1-benzazocin-6-one is O=C1CC=C/C=N\c2ccccc21.
What is the InChIKey of 5H-1-benzazocin-6-one?
The InChIKey is BFBKWBVHEALGIS-SMVYRRPNSA-N. The full InChI is InChI=1S/C11H9NO/c13-11-7-3-4-8-12-10-6-2-1-5-9(10)11/h1-6,8H,7H2/b4-3?,12-8-.
What are the key properties of 5H-1-benzazocin-6-one?
5H-1-benzazocin-6-one has a molecular weight of 171.20 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-1-benzazocin-6-one is sourced from PubChem (CID 68704953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).