4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol

C10H15NO2Se — CID 19863806

IUPAC4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol
SMILESCC(CN)C[Se]c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2Se/c1-7(5-11)6-14-8-2-3-9(12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyNJROMDVTZOFKJM-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.44
Rot. Bonds4

About 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol

4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol (PubChem CID 19863806) has the molecular formula C10H15NO2Se and a molecular weight of 260.19 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol
PubChem CID19863806
Molecular FormulaC10H15NO2Se
Molecular Weight260.19 g/mol
Exact Mass261.03
IUPAC Name4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol
SMILESCC(CN)C[Se]c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2Se/c1-7(5-11)6-14-8-2-3-9(12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyNJROMDVTZOFKJM-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol?
The IUPAC name of 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol (CID 19863806) is 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol?
The canonical SMILES for 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol is CC(CN)C[Se]c1ccc(O)c(O)c1.
What is the InChIKey of 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol?
The InChIKey is NJROMDVTZOFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2Se/c1-7(5-11)6-14-8-2-3-9(12)10(13)4-8/h2-4,7,12-13H,5-6,11H2,1H3.
What are the key properties of 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol?
4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol has a molecular weight of 260.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)selanylbenzene-1,2-diol is sourced from PubChem (CID 19863806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).