(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one

C6H8N2O — CID 145273493

IUPAC(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one
SMILESC=C/C(=N\N=C)C(C)=O
InChIInChI=1S/C6H8N2O/c1-4-6(5(2)9)8-7-3/h4H,1,3H2,2H3/b8-6+
InChIKeyLCXWMKZAWAXONJ-SOFGYWHQSA-N
MW124.14 g/mol
LogP0.82
Rot. Bonds3

About (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one

(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one (PubChem CID 145273493) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one.

Molecular Properties

Compound Name(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one
PubChem CID145273493
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one
SMILESC=C/C(=N\N=C)C(C)=O
InChIInChI=1S/C6H8N2O/c1-4-6(5(2)9)8-7-3/h4H,1,3H2,2H3/b8-6+
InChIKeyLCXWMKZAWAXONJ-SOFGYWHQSA-N
XLogP0.82
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Diazopent-4-en-2-one
CID 72740509
4-Diazohex-5-en-2-one
CID 91494801
3-Methyliminopent-4-en-2-one
CID 143225458
Ethane;3-iminopent-4-en-2-one
CID 145294770
Ethene;3-iminopent-4-en-2-one
CID 156729474
4-Diazohex-5-en-3-one
CID 85397160
N'-methyl-N-(4-oxopent-1-en-3-ylidene)methanimidamide
CID 144059759

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one?
The IUPAC name of (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one (CID 145273493) is (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one.
What is the SMILES notation for (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one?
The canonical SMILES for (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one is C=C/C(=N\N=C)C(C)=O.
What is the InChIKey of (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one?
The InChIKey is LCXWMKZAWAXONJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-6(5(2)9)8-7-3/h4H,1,3H2,2H3/b8-6+.
What are the key properties of (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one?
(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one is sourced from PubChem (CID 145273493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).