(E)-5-diazopent-3-en-2-one

C5H6N2O — CID 137307484

IUPAC(E)-5-diazopent-3-en-2-one
SMILESCC(=O)/C=C/C=[N+]=[N-]
InChIInChI=1S/C5H6N2O/c1-5(8)3-2-4-7-6/h2-4H,1H3/b3-2+
InChIKeyONLYYSFYLDZCCJ-NSCUHMNNSA-N
MW110.12 g/mol
LogP0.43
Rot. Bonds2

About (E)-5-diazopent-3-en-2-one

(E)-5-diazopent-3-en-2-one (PubChem CID 137307484) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is (E)-5-diazopent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-diazopent-3-en-2-one
PubChem CID137307484
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name(E)-5-diazopent-3-en-2-one
SMILESCC(=O)/C=C/C=[N+]=[N-]
InChIInChI=1S/C5H6N2O/c1-5(8)3-2-4-7-6/h2-4H,1H3/b3-2+
InChIKeyONLYYSFYLDZCCJ-NSCUHMNNSA-N
XLogP0.43
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-diazopent-3-en-2-one?
The IUPAC name of (E)-5-diazopent-3-en-2-one (CID 137307484) is (E)-5-diazopent-3-en-2-one.
What is the SMILES notation for (E)-5-diazopent-3-en-2-one?
The canonical SMILES for (E)-5-diazopent-3-en-2-one is CC(=O)/C=C/C=[N+]=[N-].
What is the InChIKey of (E)-5-diazopent-3-en-2-one?
The InChIKey is ONLYYSFYLDZCCJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6N2O/c1-5(8)3-2-4-7-6/h2-4H,1H3/b3-2+.
What are the key properties of (E)-5-diazopent-3-en-2-one?
(E)-5-diazopent-3-en-2-one has a molecular weight of 110.12 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-diazopent-3-en-2-one is sourced from PubChem (CID 137307484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).