(E)-1-hydroxynon-2-en-4-one

C9H16O2 — CID 87749152

IUPAC(E)-1-hydroxynon-2-en-4-one
SMILESCCCCCC(=O)/C=C/CO
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5+
InChIKeyGLYROUYLKGPVGY-FNORWQNLSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds6

About (E)-1-hydroxynon-2-en-4-one

(E)-1-hydroxynon-2-en-4-one (PubChem CID 87749152) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-1-hydroxynon-2-en-4-one.

Molecular Properties

Compound Name(E)-1-hydroxynon-2-en-4-one
PubChem CID87749152
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-1-hydroxynon-2-en-4-one
SMILESCCCCCC(=O)/C=C/CO
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5+
InChIKeyGLYROUYLKGPVGY-FNORWQNLSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxynon-2-en-4-one?
The IUPAC name of (E)-1-hydroxynon-2-en-4-one (CID 87749152) is (E)-1-hydroxynon-2-en-4-one.
What is the SMILES notation for (E)-1-hydroxynon-2-en-4-one?
The canonical SMILES for (E)-1-hydroxynon-2-en-4-one is CCCCCC(=O)/C=C/CO.
What is the InChIKey of (E)-1-hydroxynon-2-en-4-one?
The InChIKey is GLYROUYLKGPVGY-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5+.
What are the key properties of (E)-1-hydroxynon-2-en-4-one?
(E)-1-hydroxynon-2-en-4-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxynon-2-en-4-one is sourced from PubChem (CID 87749152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).