[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite

C10H11ClN2O2 — CID 90878954

IUPAC[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite
SMILESNCC(O)c1cc(OCl)c2[nH]ccc2c1
InChIInChI=1S/C10H11ClN2O2/c11-15-9-4-7(8(14)5-12)3-6-1-2-13-10(6)9/h1-4,8,13-14H,5,12H2
InChIKeyHYOBPMYGPSQNAT-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.69
Rot. Bonds3

About [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite

[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite (PubChem CID 90878954) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite.

Molecular Properties

Compound Name[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite
PubChem CID90878954
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite
SMILESNCC(O)c1cc(OCl)c2[nH]ccc2c1
InChIInChI=1S/C10H11ClN2O2/c11-15-9-4-7(8(14)5-12)3-6-1-2-13-10(6)9/h1-4,8,13-14H,5,12H2
InChIKeyHYOBPMYGPSQNAT-UHFFFAOYSA-N
XLogP1.69
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite?
The IUPAC name of [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite (CID 90878954) is [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite.
What is the SMILES notation for [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite?
The canonical SMILES for [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite is NCC(O)c1cc(OCl)c2[nH]ccc2c1.
What is the InChIKey of [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite?
The InChIKey is HYOBPMYGPSQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-15-9-4-7(8(14)5-12)3-6-1-2-13-10(6)9/h1-4,8,13-14H,5,12H2.
What are the key properties of [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite?
[5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite has a molecular weight of 226.66 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-1-hydroxyethyl)-1H-indol-7-yl] hypochlorite is sourced from PubChem (CID 90878954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).