4-trihydroxysilylbut-2-en-1-amine

C4H11NO3Si — CID 90970376

IUPAC4-trihydroxysilylbut-2-en-1-amine
SMILESNCC=CC[Si](O)(O)O
InChIInChI=1S/C4H11NO3Si/c5-3-1-2-4-9(6,7)8/h1-2,6-8H,3-5H2
InChIKeyKRAXMKPRNBZPIW-UHFFFAOYSA-N
MW149.22 g/mol
LogP-1.58
Rot. Bonds3

About 4-trihydroxysilylbut-2-en-1-amine

4-trihydroxysilylbut-2-en-1-amine (PubChem CID 90970376) has the molecular formula C4H11NO3Si and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-trihydroxysilylbut-2-en-1-amine.

Molecular Properties

Compound Name4-trihydroxysilylbut-2-en-1-amine
PubChem CID90970376
Molecular FormulaC4H11NO3Si
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name4-trihydroxysilylbut-2-en-1-amine
SMILESNCC=CC[Si](O)(O)O
InChIInChI=1S/C4H11NO3Si/c5-3-1-2-4-9(6,7)8/h1-2,6-8H,3-5H2
InChIKeyKRAXMKPRNBZPIW-UHFFFAOYSA-N
XLogP-1.58
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-1.58
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 4-trihydroxysilylbut-2-en-1-amine?
The IUPAC name of 4-trihydroxysilylbut-2-en-1-amine (CID 90970376) is 4-trihydroxysilylbut-2-en-1-amine.
What is the SMILES notation for 4-trihydroxysilylbut-2-en-1-amine?
The canonical SMILES for 4-trihydroxysilylbut-2-en-1-amine is NCC=CC[Si](O)(O)O.
What is the InChIKey of 4-trihydroxysilylbut-2-en-1-amine?
The InChIKey is KRAXMKPRNBZPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3Si/c5-3-1-2-4-9(6,7)8/h1-2,6-8H,3-5H2.
What are the key properties of 4-trihydroxysilylbut-2-en-1-amine?
4-trihydroxysilylbut-2-en-1-amine has a molecular weight of 149.22 g/mol, XLogP of -1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trihydroxysilylbut-2-en-1-amine is sourced from PubChem (CID 90970376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).