[amino(chloro)silyl] 2-methylprop-2-enoate

C4H8ClNO2Si — CID 154510963

IUPAC[amino(chloro)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](N)Cl
InChIInChI=1S/C4H8ClNO2Si/c1-3(2)4(7)8-9(5)6/h9H,1,6H2,2H3
InChIKeyMJRKTGDESMTYBH-UHFFFAOYSA-N
MW165.65 g/mol
LogP0.02
Rot. Bonds2

About [amino(chloro)silyl] 2-methylprop-2-enoate

[amino(chloro)silyl] 2-methylprop-2-enoate (PubChem CID 154510963) has the molecular formula C4H8ClNO2Si and a molecular weight of 165.65 g/mol. Its IUPAC name is [amino(chloro)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[amino(chloro)silyl] 2-methylprop-2-enoate
PubChem CID154510963
Molecular FormulaC4H8ClNO2Si
Molecular Weight165.65 g/mol
Exact Mass165.00
IUPAC Name[amino(chloro)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](N)Cl
InChIInChI=1S/C4H8ClNO2Si/c1-3(2)4(7)8-9(5)6/h9H,1,6H2,2H3
InChIKeyMJRKTGDESMTYBH-UHFFFAOYSA-N
XLogP0.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(methyl)silyl] 2-methylprop-2-enoate
CID 173415248
dichlorosilylmethyl 2-methylprop-2-enoate
CID 123971676
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
trichlorosilylmethyl 2-methylprop-2-enoate
CID 22457275
azane;hydroxymethyl 2-methylprop-2-enoate
CID 172791973
sodium ethyl 2-methylprop-2-enoate
CID 23346885

Frequently Asked Questions

What is the IUPAC name of [amino(chloro)silyl] 2-methylprop-2-enoate?
The IUPAC name of [amino(chloro)silyl] 2-methylprop-2-enoate (CID 154510963) is [amino(chloro)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [amino(chloro)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [amino(chloro)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[SiH](N)Cl.
What is the InChIKey of [amino(chloro)silyl] 2-methylprop-2-enoate?
The InChIKey is MJRKTGDESMTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2Si/c1-3(2)4(7)8-9(5)6/h9H,1,6H2,2H3.
What are the key properties of [amino(chloro)silyl] 2-methylprop-2-enoate?
[amino(chloro)silyl] 2-methylprop-2-enoate has a molecular weight of 165.65 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(chloro)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154510963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).