[(E)-1,2-bis(methylideneamino)ethenyl] acetate

C6H8N2O2 — CID 143985283

IUPAC[(E)-1,2-bis(methylideneamino)ethenyl] acetate
SMILESC=N/C=C(\N=C)OC(C)=O
InChIInChI=1S/C6H8N2O2/c1-5(9)10-6(8-3)4-7-2/h4H,2-3H2,1H3/b6-4+
InChIKeyRGBDUBOYYFVHPS-GQCTYLIASA-N
MW140.14 g/mol
LogP0.75
Rot. Bonds3

About [(E)-1,2-bis(methylideneamino)ethenyl] acetate

[(E)-1,2-bis(methylideneamino)ethenyl] acetate (PubChem CID 143985283) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is [(E)-1,2-bis(methylideneamino)ethenyl] acetate.

Molecular Properties

Compound Name[(E)-1,2-bis(methylideneamino)ethenyl] acetate
PubChem CID143985283
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name[(E)-1,2-bis(methylideneamino)ethenyl] acetate
SMILESC=N/C=C(\N=C)OC(C)=O
InChIInChI=1S/C6H8N2O2/c1-5(9)10-6(8-3)4-7-2/h4H,2-3H2,1H3/b6-4+
InChIKeyRGBDUBOYYFVHPS-GQCTYLIASA-N
XLogP0.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729
acetyl acetate;carbanide;gold
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CID 157340658
hydroxycarbamoyl acetate
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N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
acetyl acetate;bis(trifluoroborane)
CID 87483459
[(E)-1-methoxyprop-1-enyl] acetate
CID 22242401
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-bis(methylideneamino)ethenyl] acetate?
The IUPAC name of [(E)-1,2-bis(methylideneamino)ethenyl] acetate (CID 143985283) is [(E)-1,2-bis(methylideneamino)ethenyl] acetate.
What is the SMILES notation for [(E)-1,2-bis(methylideneamino)ethenyl] acetate?
The canonical SMILES for [(E)-1,2-bis(methylideneamino)ethenyl] acetate is C=N/C=C(\N=C)OC(C)=O.
What is the InChIKey of [(E)-1,2-bis(methylideneamino)ethenyl] acetate?
The InChIKey is RGBDUBOYYFVHPS-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5(9)10-6(8-3)4-7-2/h4H,2-3H2,1H3/b6-4+.
What are the key properties of [(E)-1,2-bis(methylideneamino)ethenyl] acetate?
[(E)-1,2-bis(methylideneamino)ethenyl] acetate has a molecular weight of 140.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-bis(methylideneamino)ethenyl] acetate is sourced from PubChem (CID 143985283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).