methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate

C9H13NO2Si — CID 175468999

IUPACmethyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate
SMILESC=C[Si](C)(C)C=C(C#N)C(=O)OC
InChIInChI=1S/C9H13NO2Si/c1-5-13(3,4)7-8(6-10)9(11)12-2/h5,7H,1H2,2-4H3
InChIKeyKYIQTQLGNMTPGX-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate

methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate (PubChem CID 175468999) has the molecular formula C9H13NO2Si and a molecular weight of 195.29 g/mol. Its IUPAC name is methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate
PubChem CID175468999
Molecular FormulaC9H13NO2Si
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate
SMILESC=C[Si](C)(C)C=C(C#N)C(=O)OC
InChIInChI=1S/C9H13NO2Si/c1-5-13(3,4)7-8(6-10)9(11)12-2/h5,7H,1H2,2-4H3
InChIKeyKYIQTQLGNMTPGX-UHFFFAOYSA-N
XLogP1.58
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate 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

methyl (Z)-3-amino-2-cyanoprop-2-enoate
CID 102484280
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
methyl (E)-2-cyano-5-methylhex-2-enoate
CID 11194550
methyl (E)-2-cyano-3-(5-methyl-1,2-oxazol-3-yl)prop-2-enoate
CID 119087297
methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 122525928
methyl 2-cyano-3-(2,2-dimethylcyclopropyl)prop-2-enoate
CID 91011632
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
methyl 2-cyano-3-(4-methylanilino)prop-2-enoate
CID 73370229
methyl (Z)-2-cyano-3-(4-methylanilino)prop-2-enoate
CID 19628992
methyl 2-cyano-7-(dimethylamino)-5-methylhepta-2,4,6-trienoate
CID 76836197
methyl 3-(4-aminophenyl)-2-cyanoprop-2-enoate
CID 67839057

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate?
The IUPAC name of methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate (CID 175468999) is methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate.
What is the SMILES notation for methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate?
The canonical SMILES for methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate is C=C[Si](C)(C)C=C(C#N)C(=O)OC.
What is the InChIKey of methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate?
The InChIKey is KYIQTQLGNMTPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2Si/c1-5-13(3,4)7-8(6-10)9(11)12-2/h5,7H,1H2,2-4H3.
What are the key properties of methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate?
methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate has a molecular weight of 195.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate is sourced from PubChem (CID 175468999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).