1-trihydroxysilylprop-2-en-1-amine

C3H9NO3Si — CID 87830334

IUPAC1-trihydroxysilylprop-2-en-1-amine
SMILESC=CC(N)[Si](O)(O)O
InChIInChI=1S/C3H9NO3Si/c1-2-3(4)8(5,6)7/h2-3,5-7H,1,4H2
InChIKeyYJQRIBLWJATUTB-UHFFFAOYSA-N
MW135.19 g/mol
LogP-2.05
Rot. Bonds2

About 1-trihydroxysilylprop-2-en-1-amine

1-trihydroxysilylprop-2-en-1-amine (PubChem CID 87830334) has the molecular formula C3H9NO3Si and a molecular weight of 135.19 g/mol. Its IUPAC name is 1-trihydroxysilylprop-2-en-1-amine.

Molecular Properties

Compound Name1-trihydroxysilylprop-2-en-1-amine
PubChem CID87830334
Molecular FormulaC3H9NO3Si
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name1-trihydroxysilylprop-2-en-1-amine
SMILESC=CC(N)[Si](O)(O)O
InChIInChI=1S/C3H9NO3Si/c1-2-3(4)8(5,6)7/h2-3,5-7H,1,4H2
InChIKeyYJQRIBLWJATUTB-UHFFFAOYSA-N
XLogP-2.05
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trihydroxysilylprop-2-en-1-amine?
The IUPAC name of 1-trihydroxysilylprop-2-en-1-amine (CID 87830334) is 1-trihydroxysilylprop-2-en-1-amine.
What is the SMILES notation for 1-trihydroxysilylprop-2-en-1-amine?
The canonical SMILES for 1-trihydroxysilylprop-2-en-1-amine is C=CC(N)[Si](O)(O)O.
What is the InChIKey of 1-trihydroxysilylprop-2-en-1-amine?
The InChIKey is YJQRIBLWJATUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3Si/c1-2-3(4)8(5,6)7/h2-3,5-7H,1,4H2.
What are the key properties of 1-trihydroxysilylprop-2-en-1-amine?
1-trihydroxysilylprop-2-en-1-amine has a molecular weight of 135.19 g/mol, XLogP of -2.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trihydroxysilylprop-2-en-1-amine is sourced from PubChem (CID 87830334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).