3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol

C13H15FN2O — CID 89059490

IUPAC3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol
SMILESC=CCn1cc(CCN)c2c(O)ccc(F)c21
InChIInChI=1S/C13H15FN2O/c1-2-7-16-8-9(5-6-15)12-11(17)4-3-10(14)13(12)16/h2-4,8,17H,1,5-7,15H2
InChIKeyUIMGJIMCEMNYIL-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol

3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol (PubChem CID 89059490) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol
PubChem CID89059490
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol
SMILESC=CCn1cc(CCN)c2c(O)ccc(F)c21
InChIInChI=1S/C13H15FN2O/c1-2-7-16-8-9(5-6-15)12-11(17)4-3-10(14)13(12)16/h2-4,8,17H,1,5-7,15H2
InChIKeyUIMGJIMCEMNYIL-UHFFFAOYSA-N
XLogP2.17
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol?
The IUPAC name of 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol (CID 89059490) is 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol.
What is the SMILES notation for 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol?
The canonical SMILES for 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol is C=CCn1cc(CCN)c2c(O)ccc(F)c21.
What is the InChIKey of 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol?
The InChIKey is UIMGJIMCEMNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-7-16-8-9(5-6-15)12-11(17)4-3-10(14)13(12)16/h2-4,8,17H,1,5-7,15H2.
What are the key properties of 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol?
3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol has a molecular weight of 234.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol is sourced from PubChem (CID 89059490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).