N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide

C12H23NO4Si — CID 19980924

IUPACN-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=CCN(CCC[Si](OC)(OC)OC)C(=O)C=C
InChIInChI=1S/C12H23NO4Si/c1-6-9-13(12(14)7-2)10-8-11-18(15-3,16-4)17-5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyIRCANZXXCGTPNL-UHFFFAOYSA-N
MW273.41 g/mol
LogP1.46
Rot. Bonds10

About N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide

N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide (PubChem CID 19980924) has the molecular formula C12H23NO4Si and a molecular weight of 273.41 g/mol. Its IUPAC name is N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
PubChem CID19980924
Molecular FormulaC12H23NO4Si
Molecular Weight273.41 g/mol
Exact Mass273.14
IUPAC NameN-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=CCN(CCC[Si](OC)(OC)OC)C(=O)C=C
InChIInChI=1S/C12H23NO4Si/c1-6-9-13(12(14)7-2)10-8-11-18(15-3,16-4)17-5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyIRCANZXXCGTPNL-UHFFFAOYSA-N
XLogP1.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The IUPAC name of N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide (CID 19980924) is N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide.
What is the SMILES notation for N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The canonical SMILES for N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide is C=CCN(CCC[Si](OC)(OC)OC)C(=O)C=C.
What is the InChIKey of N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The InChIKey is IRCANZXXCGTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-6-9-13(12(14)7-2)10-8-11-18(15-3,16-4)17-5/h6-7H,1-2,8-11H2,3-5H3.
What are the key properties of N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide has a molecular weight of 273.41 g/mol, XLogP of 1.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide is sourced from PubChem (CID 19980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).