N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide

C12H21NO4Si — CID 19758118

IUPACN-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCC[Si](C)(OC)OC)C(=O)C=C
InChIInChI=1S/C12H21NO4Si/c1-6-11(14)13(12(15)7-2)9-8-10-18(5,16-3)17-4/h6-7H,1-2,8-10H2,3-5H3
InChIKeyOJZBJQUXAOBONB-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.47
Rot. Bonds8

About N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide

N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide (PubChem CID 19758118) has the molecular formula C12H21NO4Si and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide
PubChem CID19758118
Molecular FormulaC12H21NO4Si
Molecular Weight271.39 g/mol
Exact Mass271.12
IUPAC NameN-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCC[Si](C)(OC)OC)C(=O)C=C
InChIInChI=1S/C12H21NO4Si/c1-6-11(14)13(12(15)7-2)9-8-10-18(5,16-3)17-4/h6-7H,1-2,8-10H2,3-5H3
InChIKeyOJZBJQUXAOBONB-UHFFFAOYSA-N
XLogP1.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
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 N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide (CID 19758118) is N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCC[Si](C)(OC)OC)C(=O)C=C.
What is the InChIKey of N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide?
The InChIKey is OJZBJQUXAOBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4Si/c1-6-11(14)13(12(15)7-2)9-8-10-18(5,16-3)17-4/h6-7H,1-2,8-10H2,3-5H3.
What are the key properties of N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide?
N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide has a molecular weight of 271.39 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethoxy(methyl)silyl]propyl]-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 19758118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).