3-phenylselanylprop-2-en-1-amine

C9H11NSe — CID 71375037

IUPAC3-phenylselanylprop-2-en-1-amine
SMILESNCC=C[Se]c1ccccc1
InChIInChI=1S/C9H11NSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8H,7,10H2
InChIKeyCKKBUADJSRVPKD-UHFFFAOYSA-N
MW212.15 g/mol
LogP0.49
Rot. Bonds3

About 3-phenylselanylprop-2-en-1-amine

3-phenylselanylprop-2-en-1-amine (PubChem CID 71375037) has the molecular formula C9H11NSe and a molecular weight of 212.15 g/mol. Its IUPAC name is 3-phenylselanylprop-2-en-1-amine.

Molecular Properties

Compound Name3-phenylselanylprop-2-en-1-amine
PubChem CID71375037
Molecular FormulaC9H11NSe
Molecular Weight212.15 g/mol
Exact Mass213.01
IUPAC Name3-phenylselanylprop-2-en-1-amine
SMILESNCC=C[Se]c1ccccc1
InChIInChI=1S/C9H11NSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8H,7,10H2
InChIKeyCKKBUADJSRVPKD-UHFFFAOYSA-N
XLogP0.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylselanylprop-2-en-1-amine?
The IUPAC name of 3-phenylselanylprop-2-en-1-amine (CID 71375037) is 3-phenylselanylprop-2-en-1-amine.
What is the SMILES notation for 3-phenylselanylprop-2-en-1-amine?
The canonical SMILES for 3-phenylselanylprop-2-en-1-amine is NCC=C[Se]c1ccccc1.
What is the InChIKey of 3-phenylselanylprop-2-en-1-amine?
The InChIKey is CKKBUADJSRVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8H,7,10H2.
What are the key properties of 3-phenylselanylprop-2-en-1-amine?
3-phenylselanylprop-2-en-1-amine has a molecular weight of 212.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylselanylprop-2-en-1-amine is sourced from PubChem (CID 71375037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).