(5Z,7Z)-3H-azocin-4-one

C7H7NO — CID 23128851

IUPAC(5Z,7Z)-3H-azocin-4-one
SMILESO=C1/C=C\C=C/N=C\C1
InChIInChI=1S/C7H7NO/c9-7-3-1-2-5-8-6-4-7/h1-3,5-6H,4H2/b3-1-,5-2-,8-6-
InChIKeyFYNDWZXYQAWDGO-CCHFDMBESA-N
MW121.14 g/mol
LogP1.10
Rot. Bonds

About (5Z,7Z)-3H-azocin-4-one

(5Z,7Z)-3H-azocin-4-one (PubChem CID 23128851) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (5Z,7Z)-3H-azocin-4-one.

Molecular Properties

Compound Name(5Z,7Z)-3H-azocin-4-one
PubChem CID23128851
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(5Z,7Z)-3H-azocin-4-one
SMILESO=C1/C=C\C=C/N=C\C1
InChIInChI=1S/C7H7NO/c9-7-3-1-2-5-8-6-4-7/h1-3,5-6H,4H2/b3-1-,5-2-,8-6-
InChIKeyFYNDWZXYQAWDGO-CCHFDMBESA-N
XLogP1.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3H-azocin-4-one?
The IUPAC name of (5Z,7Z)-3H-azocin-4-one (CID 23128851) is (5Z,7Z)-3H-azocin-4-one.
What is the SMILES notation for (5Z,7Z)-3H-azocin-4-one?
The canonical SMILES for (5Z,7Z)-3H-azocin-4-one is O=C1/C=C\C=C/N=C\C1.
What is the InChIKey of (5Z,7Z)-3H-azocin-4-one?
The InChIKey is FYNDWZXYQAWDGO-CCHFDMBESA-N. The full InChI is InChI=1S/C7H7NO/c9-7-3-1-2-5-8-6-4-7/h1-3,5-6H,4H2/b3-1-,5-2-,8-6-.
What are the key properties of (5Z,7Z)-3H-azocin-4-one?
(5Z,7Z)-3H-azocin-4-one has a molecular weight of 121.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3H-azocin-4-one is sourced from PubChem (CID 23128851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).