but-2-enamide;1,1,2-trimethoxy-2-propylsilinane

C15H31NO4Si — CID 174413955

IUPACbut-2-enamide;1,1,2-trimethoxy-2-propylsilinane
SMILESCC=CC(N)=O.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C4H7NO/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-2-3-4(5)6/h5-10H2,1-4H3;2-3H,1H3,(H2,5,6)
InChIKeyJIIJDBYYMKXFEV-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.68
Rot. Bonds6

About but-2-enamide;1,1,2-trimethoxy-2-propylsilinane

but-2-enamide;1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174413955) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is but-2-enamide;1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Namebut-2-enamide;1,1,2-trimethoxy-2-propylsilinane
PubChem CID174413955
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Namebut-2-enamide;1,1,2-trimethoxy-2-propylsilinane
SMILESCC=CC(N)=O.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C4H7NO/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-2-3-4(5)6/h5-10H2,1-4H3;2-3H,1H3,(H2,5,6)
InChIKeyJIIJDBYYMKXFEV-UHFFFAOYSA-N
XLogP2.68
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 but-2-enamide;1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of but-2-enamide;1,1,2-trimethoxy-2-propylsilinane (CID 174413955) is but-2-enamide;1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for but-2-enamide;1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for but-2-enamide;1,1,2-trimethoxy-2-propylsilinane is CC=CC(N)=O.CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of but-2-enamide;1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is JIIJDBYYMKXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si.C4H7NO/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-2-3-4(5)6/h5-10H2,1-4H3;2-3H,1H3,(H2,5,6).
What are the key properties of but-2-enamide;1,1,2-trimethoxy-2-propylsilinane?
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 317.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enamide;1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174413955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).