(3E)-3-hydrazinylidenebutan-2-one

C4H8N2O — CID 11137106

IUPAC(3E)-3-hydrazinylidenebutan-2-one
SMILESCC(=O)/C(C)=N/N
InChIInChI=1S/C4H8N2O/c1-3(6-5)4(2)7/h5H2,1-2H3/b6-3+
InChIKeyOEQWLIQXPNAIBO-ZZXKWVIFSA-N
MW100.12 g/mol
LogP-0.09
Rot. Bonds1

About (3E)-3-hydrazinylidenebutan-2-one

(3E)-3-hydrazinylidenebutan-2-one (PubChem CID 11137106) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (3E)-3-hydrazinylidenebutan-2-one.

Molecular Properties

Compound Name(3E)-3-hydrazinylidenebutan-2-one
PubChem CID11137106
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(3E)-3-hydrazinylidenebutan-2-one
SMILESCC(=O)/C(C)=N/N
InChIInChI=1S/C4H8N2O/c1-3(6-5)4(2)7/h5H2,1-2H3/b6-3+
InChIKeyOEQWLIQXPNAIBO-ZZXKWVIFSA-N
XLogP-0.09
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[3-(3-oxobutan-2-ylidenehydrazinylidene)butan-2-ylidenehydrazinylidene]butan-2-one
CID 131885174
N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide
CID 170027093
CID 162046175
CID 162046175
silver bis(propan-2-one)
CID 71340648
(3Z)-3-(dimethylhydrazinylidene)butan-2-one
CID 93497612
(E,4Z)-4-hydrazinylidenepent-2-en-3-amine
CID 166689118
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
[(E)-3-oxobutan-2-ylideneamino]thiourea
CID 12861991
acetylene;propan-2-one
CID 175379090
acetamide
CID 139024037
2-aminoguanidine;urea
CID 87270498
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydrazinylidenebutan-2-one?
The IUPAC name of (3E)-3-hydrazinylidenebutan-2-one (CID 11137106) is (3E)-3-hydrazinylidenebutan-2-one.
What is the SMILES notation for (3E)-3-hydrazinylidenebutan-2-one?
The canonical SMILES for (3E)-3-hydrazinylidenebutan-2-one is CC(=O)/C(C)=N/N.
What is the InChIKey of (3E)-3-hydrazinylidenebutan-2-one?
The InChIKey is OEQWLIQXPNAIBO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(6-5)4(2)7/h5H2,1-2H3/b6-3+.
What are the key properties of (3E)-3-hydrazinylidenebutan-2-one?
(3E)-3-hydrazinylidenebutan-2-one has a molecular weight of 100.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydrazinylidenebutan-2-one is sourced from PubChem (CID 11137106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).