(5E,7Z,9E)-3H-azecin-4-one

C9H9NO — CID 58797562

IUPAC(5E,7Z,9E)-3H-azecin-4-one
SMILESO=C1/C=C/C=C\C=C\N=C/C1
InChIInChI=1S/C9H9NO/c11-9-5-3-1-2-4-7-10-8-6-9/h1-5,7-8H,6H2/b2-1-,5-3+,7-4+,10-8-
InChIKeyZLKGLEVELZIXNG-FLFUJHSISA-N
MW147.18 g/mol
LogP1.66
Rot. Bonds

About (5E,7Z,9E)-3H-azecin-4-one

(5E,7Z,9E)-3H-azecin-4-one (PubChem CID 58797562) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (5E,7Z,9E)-3H-azecin-4-one.

Molecular Properties

Compound Name(5E,7Z,9E)-3H-azecin-4-one
PubChem CID58797562
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(5E,7Z,9E)-3H-azecin-4-one
SMILESO=C1/C=C/C=C\C=C\N=C/C1
InChIInChI=1S/C9H9NO/c11-9-5-3-1-2-4-7-10-8-6-9/h1-5,7-8H,6H2/b2-1-,5-3+,7-4+,10-8-
InChIKeyZLKGLEVELZIXNG-FLFUJHSISA-N
XLogP1.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E)-3H-azecin-4-one?
The IUPAC name of (5E,7Z,9E)-3H-azecin-4-one (CID 58797562) is (5E,7Z,9E)-3H-azecin-4-one.
What is the SMILES notation for (5E,7Z,9E)-3H-azecin-4-one?
The canonical SMILES for (5E,7Z,9E)-3H-azecin-4-one is O=C1/C=C/C=C\C=C\N=C/C1.
What is the InChIKey of (5E,7Z,9E)-3H-azecin-4-one?
The InChIKey is ZLKGLEVELZIXNG-FLFUJHSISA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-3-1-2-4-7-10-8-6-9/h1-5,7-8H,6H2/b2-1-,5-3+,7-4+,10-8-.
What are the key properties of (5E,7Z,9E)-3H-azecin-4-one?
(5E,7Z,9E)-3H-azecin-4-one has a molecular weight of 147.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E)-3H-azecin-4-one is sourced from PubChem (CID 58797562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).