[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate

C7H9NO3 — CID 134895243

IUPAC[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate
SMILESCOC/C(C#N)=C\OC(C)=O
InChIInChI=1S/C7H9NO3/c1-6(9)11-5-7(3-8)4-10-2/h5H,4H2,1-2H3/b7-5-
InChIKeyILYVOYPEPHKBGK-ALCCZGGFSA-N
MW155.15 g/mol
LogP0.60
Rot. Bonds3

About [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate

[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate (PubChem CID 134895243) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate
PubChem CID134895243
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate
SMILESCOC/C(C#N)=C\OC(C)=O
InChIInChI=1S/C7H9NO3/c1-6(9)11-5-7(3-8)4-10-2/h5H,4H2,1-2H3/b7-5-
InChIKeyILYVOYPEPHKBGK-ALCCZGGFSA-N
XLogP0.60
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate?
The IUPAC name of [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate (CID 134895243) is [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate.
What is the SMILES notation for [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate?
The canonical SMILES for [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate is COC/C(C#N)=C\OC(C)=O.
What is the InChIKey of [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate?
The InChIKey is ILYVOYPEPHKBGK-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H9NO3/c1-6(9)11-5-7(3-8)4-10-2/h5H,4H2,1-2H3/b7-5-.
What are the key properties of [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate?
[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate has a molecular weight of 155.15 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyano-3-methoxyprop-1-enyl] acetate is sourced from PubChem (CID 134895243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).