Methacrylonitrile
PubChem CID: 31368
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| Compound Synonyms | Methacrylonitrile, 126-98-7, 2-methylprop-2-enenitrile, 2-Methylacrylonitrile, Isopropene cyanide, METHYLACRYLONITRILE, Isopropenylnitrile, 2-Propenenitrile, 2-methyl-, 2-Methyl-2-propenenitrile, 2-Cyanopropene-1, 2-Cyano-1-propene, 2-Cyanopropene, 2-Methylpropenenitrile, Methyl acrylonitrile, USAF ST-40, RCRA waste number U152, CCRIS 4841, isobutenenitrile, methacrylnitrile, HSDB 5613, .alpha.-Methylacrylonitrile, EINECS 204-817-5, NSC 24145, UN3079, DTXSID1024176, AI3-52399, UNII-04S4K38612, .alpha.-Methacrylonitrile, Propenenitrile, 2-methyl, 1-Methyl-1-cyanoethylene, NSC-24145, CH2C(CH3)CN, Methacrylonitrile, stabiliZed, METHACRYLONITRILE [MI], DTXCID104176, METHACRYLONITRILE (15N), METHYLACRYLONITRILE [HSDB], EC 204-817-5, 04S4K38612, Methacrylonitrile (stabilized with hydroquinone monomethyl ether), CAS-126-98-7, RCRA waste no. U152, 2Cyanopropene1, 2Methylacrylonitrile, a-methylacrylonitrile, 2Methylpropenenitrile, NSC 20659, 2Methyl2propenenitrile, 2-methyl-acrylonitrile, 1-methylethenyl cyanide, Methacrylonitrile, 99%, 2Propenenitrile, 2methyl, USAF ST40, Methacrylonitrile, inhibited, 2-propenenitrile, 2-methyl, Methylacrylonitrile (ACGIH), WLN: NCY1 & U1, CHEMBL1529759, CHEBI:229308, AAA12698, NSC20659, NSC24145, Tox21_201354, Tox21_303172, BBL011404, MFCD00001872, NSC-20659, STL146508, 2-cyanopropene-1, 2-cyano-1-propene, AKOS000121392, 2-PROPENE-NITRILE, 2-METHYL-, NCGC00090742-01, NCGC00090742-02, NCGC00090742-03, NCGC00090742-04, NCGC00256956-01, NCGC00258906-01, M0089, NS00003782, EN300-21169, Q2088171, PROPENOIC ACID,2-METHYL,NITRILE METHACRYL NITRILE, Methacrylonitrile, inhibited [UN3079] [Flammable liquid], PROPENOIC ACID,2-METHYL,NITRILE METHACRYL NITRILE, 204-817-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C)C#N |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Organic cyanides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylprop-2-enenitrile |
| Class | Organonitrogen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 0.7 |
| Superclass | Organic nitrogen compounds |
| Subclass | Organic cyanides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H5N |
| Inchi Key | GYCMBHHDWRMZGG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-propenenitrile,2-methyl-, methacrylonitrile |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C#N |
| Compound Name | Methacrylonitrile |
| Kingdom | Organic compounds |
| Exact Mass | 67.0422 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 67.0422 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 67.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3 |
| Smiles | CC(=C)C#N |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Nitriles |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643935