3-amino-1-silylprop-2-en-1-one

C3H7NOSi — CID 154481802

IUPAC3-amino-1-silylprop-2-en-1-one
SMILESNC=CC(=O)[SiH3]
InChIInChI=1S/C3H7NOSi/c4-2-1-3(5)6/h1-2H,4H2,6H3
InChIKeyZZPCRIHETACNMY-UHFFFAOYSA-N
MW101.18 g/mol
LogP-1.65
Rot. Bonds1

About 3-amino-1-silylprop-2-en-1-one

3-amino-1-silylprop-2-en-1-one (PubChem CID 154481802) has the molecular formula C3H7NOSi and a molecular weight of 101.18 g/mol. Its IUPAC name is 3-amino-1-silylprop-2-en-1-one.

Molecular Properties

Compound Name3-amino-1-silylprop-2-en-1-one
PubChem CID154481802
Molecular FormulaC3H7NOSi
Molecular Weight101.18 g/mol
Exact Mass101.03
IUPAC Name3-amino-1-silylprop-2-en-1-one
SMILESNC=CC(=O)[SiH3]
InChIInChI=1S/C3H7NOSi/c4-2-1-3(5)6/h1-2H,4H2,6H3
InChIKeyZZPCRIHETACNMY-UHFFFAOYSA-N
XLogP-1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-amino-1-silylprop-2-en-1-one?
The IUPAC name of 3-amino-1-silylprop-2-en-1-one (CID 154481802) is 3-amino-1-silylprop-2-en-1-one.
What is the SMILES notation for 3-amino-1-silylprop-2-en-1-one?
The canonical SMILES for 3-amino-1-silylprop-2-en-1-one is NC=CC(=O)[SiH3].
What is the InChIKey of 3-amino-1-silylprop-2-en-1-one?
The InChIKey is ZZPCRIHETACNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOSi/c4-2-1-3(5)6/h1-2H,4H2,6H3.
What are the key properties of 3-amino-1-silylprop-2-en-1-one?
3-amino-1-silylprop-2-en-1-one has a molecular weight of 101.18 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-silylprop-2-en-1-one is sourced from PubChem (CID 154481802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).