N-prop-2-enylacetamide;1,1,2-trimethylsilinane

C13H27NOSi — CID 174520229

IUPACN-prop-2-enylacetamide;1,1,2-trimethylsilinane
SMILESC=CCNC(C)=O.CC1CCCC[Si]1(C)C
InChIInChI=1S/C8H18Si.C5H9NO/c1-8-6-4-5-7-9(8,2)3;1-3-4-6-5(2)7/h8H,4-7H2,1-3H3;3H,1,4H2,2H3,(H,6,7)
InChIKeyQTMLDFVNZYYEBL-UHFFFAOYSA-N
MW241.45 g/mol
LogP3.58
Rot. Bonds2

About N-prop-2-enylacetamide;1,1,2-trimethylsilinane

N-prop-2-enylacetamide;1,1,2-trimethylsilinane (PubChem CID 174520229) has the molecular formula C13H27NOSi and a molecular weight of 241.45 g/mol. Its IUPAC name is N-prop-2-enylacetamide;1,1,2-trimethylsilinane.

Molecular Properties

Compound NameN-prop-2-enylacetamide;1,1,2-trimethylsilinane
PubChem CID174520229
Molecular FormulaC13H27NOSi
Molecular Weight241.45 g/mol
Exact Mass241.19
IUPAC NameN-prop-2-enylacetamide;1,1,2-trimethylsilinane
SMILESC=CCNC(C)=O.CC1CCCC[Si]1(C)C
InChIInChI=1S/C8H18Si.C5H9NO/c1-8-6-4-5-7-9(8,2)3;1-3-4-6-5(2)7/h8H,4-7H2,1-3H3;3H,1,4H2,2H3,(H,6,7)
InChIKeyQTMLDFVNZYYEBL-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;guanidine;1,1,2-trimethylsilinane
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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylacetamide;1,1,2-trimethylsilinane?
The IUPAC name of N-prop-2-enylacetamide;1,1,2-trimethylsilinane (CID 174520229) is N-prop-2-enylacetamide;1,1,2-trimethylsilinane.
What is the SMILES notation for N-prop-2-enylacetamide;1,1,2-trimethylsilinane?
The canonical SMILES for N-prop-2-enylacetamide;1,1,2-trimethylsilinane is C=CCNC(C)=O.CC1CCCC[Si]1(C)C.
What is the InChIKey of N-prop-2-enylacetamide;1,1,2-trimethylsilinane?
The InChIKey is QTMLDFVNZYYEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Si.C5H9NO/c1-8-6-4-5-7-9(8,2)3;1-3-4-6-5(2)7/h8H,4-7H2,1-3H3;3H,1,4H2,2H3,(H,6,7).
What are the key properties of N-prop-2-enylacetamide;1,1,2-trimethylsilinane?
N-prop-2-enylacetamide;1,1,2-trimethylsilinane has a molecular weight of 241.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylacetamide;1,1,2-trimethylsilinane is sourced from PubChem (CID 174520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).