Ethenyl acetate;2-methylprop-2-enenitrile

C8H11NO2 — CID 19604773

IUPACethenyl acetate;2-methylprop-2-enenitrile
SMILESCC(=C)C#N.CC(=O)OC=C
InChIInChI=1S/C4H5N.C4H6O2/c1-4(2)3-5;1-3-6-4(2)5/h1H2,2H3;3H,1H2,2H3
InChIKeyHMNAYOLFUZSDDA-UHFFFAOYSA-N
MW153.18 g/mol
LogP—
Rot. Bonds2

About Ethenyl acetate;2-methylprop-2-enenitrile

Ethenyl acetate;2-methylprop-2-enenitrile (PubChem CID 19604773) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethenyl acetate;2-methylprop-2-enenitrile.

Molecular Properties

Compound NameEthenyl acetate;2-methylprop-2-enenitrile
PubChem CID19604773
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethenyl acetate;2-methylprop-2-enenitrile
SMILESCC(=C)C#N.CC(=O)OC=C
InChIInChI=1S/C4H5N.C4H6O2/c1-4(2)3-5;1-3-6-4(2)5/h1H2,2H3;3H,1H2,2H3
InChIKeyHMNAYOLFUZSDDA-UHFFFAOYSA-N
XLogP—
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity149

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze Ethenyl acetate;2-methylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethenyl acetate;2-methylidenepropanedinitrile
CID 19609611
Ethene;ethenyl acetate;prop-2-enenitrile
CID 160048131
2,2-Dicyanovinyl pivaloate
CID 15832786
[(Z)-2-cyano-3-methoxyprop-1-enyl] acetate
CID 134895243
1-Cyanoethenyl acetate;2-methylprop-2-enenitrile
CID 20324797
2-Cyanoprop-1-en-1-yl acetate
CID 54014852
[(Z)-2-cyano-3-methylperoxyprop-1-enyl] acetate
CID 59895709
Ethenol;ethenyl acetate;2-methylprop-2-enenitrile
CID 87766524
Ethenyl propanoate;2-methylidenepropanedinitrile
CID 88156302
Ethenyl acetate;ethenyl formate;2-methylidenepropanedinitrile
CID 88340586
Ethenyl acetate;2-methylhexa-2,4-dienedinitrile
CID 88764516
Ethenyl acetate;2-methylprop-2-enenitrile;prop-2-enenitrile
CID 88764517

Frequently Asked Questions

What is the IUPAC name of Ethenyl acetate;2-methylprop-2-enenitrile?
The IUPAC name of Ethenyl acetate;2-methylprop-2-enenitrile (CID 19604773) is ethenyl acetate;2-methylprop-2-enenitrile.
What is the SMILES notation for Ethenyl acetate;2-methylprop-2-enenitrile?
The canonical SMILES for Ethenyl acetate;2-methylprop-2-enenitrile is CC(=C)C#N.CC(=O)OC=C.
What is the InChIKey of Ethenyl acetate;2-methylprop-2-enenitrile?
The InChIKey is HMNAYOLFUZSDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H6O2/c1-4(2)3-5;1-3-6-4(2)5/h1H2,2H3;3H,1H2,2H3.
What are the key properties of Ethenyl acetate;2-methylprop-2-enenitrile?
Ethenyl acetate;2-methylprop-2-enenitrile has a molecular weight of 153.18 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethenyl acetate;2-methylprop-2-enenitrile is sourced from PubChem (CID 19604773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).