(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one

C7H7NO2 — CID 144623389

IUPAC(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one
SMILESO=C1/C=C(O)\C=C/C=C\N1
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-4-8-7(10)5-6/h1-5,9H,(H,8,10)
InChIKeyUZVXVHDVACASMB-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.63
Rot. Bonds

About (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one

(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one (PubChem CID 144623389) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one.

Molecular Properties

Compound Name(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one
PubChem CID144623389
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one
SMILESO=C1/C=C(O)\C=C/C=C\N1
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-4-8-7(10)5-6/h1-5,9H,(H,8,10)
InChIKeyUZVXVHDVACASMB-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one?
The IUPAC name of (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one (CID 144623389) is (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one.
What is the SMILES notation for (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one?
The canonical SMILES for (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one is O=C1/C=C(O)\C=C/C=C\N1.
What is the InChIKey of (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one?
The InChIKey is UZVXVHDVACASMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-3-1-2-4-8-7(10)5-6/h1-5,9H,(H,8,10).
What are the key properties of (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one?
(3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one has a molecular weight of 137.14 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-4-hydroxy-1H-azocin-2-one is sourced from PubChem (CID 144623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).