(E)-1-diazonon-3-en-2-one

C9H14N2O — CID 101338105

IUPAC(E)-1-diazonon-3-en-2-one
SMILESCCCCC/C=C/C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H14N2O/c1-2-3-4-5-6-7-9(12)8-11-10/h6-8H,2-5H2,1H3/b7-6+
InChIKeyRDLRYJOWTQLCDJ-VOTSOKGWSA-N
MW166.22 g/mol
LogP1.99
Rot. Bonds6

About (E)-1-diazonon-3-en-2-one

(E)-1-diazonon-3-en-2-one (PubChem CID 101338105) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-1-diazonon-3-en-2-one.

Molecular Properties

Compound Name(E)-1-diazonon-3-en-2-one
PubChem CID101338105
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-1-diazonon-3-en-2-one
SMILESCCCCC/C=C/C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H14N2O/c1-2-3-4-5-6-7-9(12)8-11-10/h6-8H,2-5H2,1H3/b7-6+
InChIKeyRDLRYJOWTQLCDJ-VOTSOKGWSA-N
XLogP1.99
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-diazonon-3-en-2-one?
The IUPAC name of (E)-1-diazonon-3-en-2-one (CID 101338105) is (E)-1-diazonon-3-en-2-one.
What is the SMILES notation for (E)-1-diazonon-3-en-2-one?
The canonical SMILES for (E)-1-diazonon-3-en-2-one is CCCCC/C=C/C(=O)C=[N+]=[N-].
What is the InChIKey of (E)-1-diazonon-3-en-2-one?
The InChIKey is RDLRYJOWTQLCDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-4-5-6-7-9(12)8-11-10/h6-8H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1-diazonon-3-en-2-one?
(E)-1-diazonon-3-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diazonon-3-en-2-one is sourced from PubChem (CID 101338105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).