N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate

C12H23NO4Si — CID 173298940

IUPACN,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate
SMILESC=C(CCCOC)C(=O)O[SiH3].C=CC(=O)N(C)C
InChIInChI=1S/C7H14O3Si.C5H9NO/c1-6(7(8)10-11)4-3-5-9-2;1-4-5(7)6(2)3/h1,3-5H2,2,11H3;4H,1H2,2-3H3
InChIKeyBCXASAQKBDDOQU-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.05
Rot. Bonds6

About N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate

N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate (PubChem CID 173298940) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate
PubChem CID173298940
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC NameN,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate
SMILESC=C(CCCOC)C(=O)O[SiH3].C=CC(=O)N(C)C
InChIInChI=1S/C7H14O3Si.C5H9NO/c1-6(7(8)10-11)4-3-5-9-2;1-4-5(7)6(2)3/h1,3-5H2,2,11H3;4H,1H2,2-3H3
InChIKeyBCXASAQKBDDOQU-UHFFFAOYSA-N
XLogP0.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate?
The IUPAC name of N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate (CID 173298940) is N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate.
What is the SMILES notation for N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate?
The canonical SMILES for N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate is C=C(CCCOC)C(=O)O[SiH3].C=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate?
The InChIKey is BCXASAQKBDDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si.C5H9NO/c1-6(7(8)10-11)4-3-5-9-2;1-4-5(7)6(2)3/h1,3-5H2,2,11H3;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate?
N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate has a molecular weight of 273.40 g/mol, XLogP of 0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;silyl 5-methoxy-2-methylidenepentanoate is sourced from PubChem (CID 173298940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).