(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one

C9H16N2O2 — CID 143984776

IUPAC(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one
SMILESC=CN(C)/N=C\CC(=O)COCC
InChIInChI=1S/C9H16N2O2/c1-4-11(3)10-7-6-9(12)8-13-5-2/h4,7H,1,5-6,8H2,2-3H3/b10-7-
InChIKeySQOUICQHNXKPDQ-YFHOEESVSA-N
MW184.24 g/mol
LogP1.04
Rot. Bonds7

About (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one

(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one (PubChem CID 143984776) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one.

Molecular Properties

Compound Name(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one
PubChem CID143984776
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one
SMILESC=CN(C)/N=C\CC(=O)COCC
InChIInChI=1S/C9H16N2O2/c1-4-11(3)10-7-6-9(12)8-13-5-2/h4,7H,1,5-6,8H2,2-3H3/b10-7-
InChIKeySQOUICQHNXKPDQ-YFHOEESVSA-N
XLogP1.04
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
(1E)-1-(dimethylhydrazinylidene)heptan-3-one
CID 14786269
N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one
CID 175053297
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
3-ethenylimino-1-ethoxypent-4-en-2-one
CID 156744879
methyl 4-ethoxy-3-oxobutanoate
CID 54303951
1-ethoxy-3-(methylamino)propan-2-one
CID 116553693
2-ethoxyacetic acid
CID 159744705
1-ethoxy-3-ethylsulfanylpropan-2-one
CID 79567290
bis(4-ethoxybutane-1,3-dione);titanium(2+)
CID 158401883
N-(diaminomethylidene)-2-ethoxyacetamide
CID 55290245
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one?
The IUPAC name of (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one (CID 143984776) is (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one.
What is the SMILES notation for (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one?
The canonical SMILES for (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one is C=CN(C)/N=C\CC(=O)COCC.
What is the InChIKey of (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one?
The InChIKey is SQOUICQHNXKPDQ-YFHOEESVSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-11(3)10-7-6-9(12)8-13-5-2/h4,7H,1,5-6,8H2,2-3H3/b10-7-.
What are the key properties of (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one?
(4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one has a molecular weight of 184.24 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[ethenyl(methyl)hydrazinylidene]-1-ethoxybutan-2-one is sourced from PubChem (CID 143984776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).