strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride

C8H13NO2Sr — CID 174942711

IUPACstrontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
SMILESNCCc1ccc(O)c(O)c1.[H-].[H-].[Sr+2]
InChIInChI=1S/C8H11NO2.Sr.2H/c9-4-3-6-1-2-7(10)8(11)5-6;;;/h1-2,5,10-11H,3-4,9H2;;;/q;+2;2*-1
InChIKeyLJWUGVSVEMSCAS-UHFFFAOYSA-N
MW242.82 g/mol
LogP0.44
Rot. Bonds2

About strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride

strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride (PubChem CID 174942711) has the molecular formula C8H13NO2Sr and a molecular weight of 242.82 g/mol. Its IUPAC name is strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride.

Molecular Properties

Compound Namestrontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
PubChem CID174942711
Molecular FormulaC8H13NO2Sr
Molecular Weight242.82 g/mol
Exact Mass243.00
IUPAC Namestrontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
SMILESNCCc1ccc(O)c(O)c1.[H-].[H-].[Sr+2]
InChIInChI=1S/C8H11NO2.Sr.2H/c9-4-3-6-1-2-7(10)8(11)5-6;;;/h1-2,5,10-11H,3-4,9H2;;;/q;+2;2*-1
InChIKeyLJWUGVSVEMSCAS-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.82
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'}

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Related Compounds

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4-(2-aminoethyl)-2-(aminomethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride?
The IUPAC name of strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride (CID 174942711) is strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride.
What is the SMILES notation for strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride?
The canonical SMILES for strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride is NCCc1ccc(O)c(O)c1.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride?
The InChIKey is LJWUGVSVEMSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.Sr.2H/c9-4-3-6-1-2-7(10)8(11)5-6;;;/h1-2,5,10-11H,3-4,9H2;;;/q;+2;2*-1.
What are the key properties of strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride?
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride has a molecular weight of 242.82 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride is sourced from PubChem (CID 174942711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).