(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine

C11H11FN2 — CID 117281812

IUPAC(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cc2[nH]ccc2cc1F
InChIInChI=1S/C11H11FN2/c12-10-6-9-3-5-14-11(9)7-8(10)2-1-4-13/h1-3,5-7,14H,4,13H2/b2-1+
InChIKeyREJRBNDDSJFSOJ-OWOJBTEDSA-N
MW190.22 g/mol
LogP2.28
Rot. Bonds2

About (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine

(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine (PubChem CID 117281812) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
PubChem CID117281812
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cc2[nH]ccc2cc1F
InChIInChI=1S/C11H11FN2/c12-10-6-9-3-5-14-11(9)7-8(10)2-1-4-13/h1-3,5-7,14H,4,13H2/b2-1+
InChIKeyREJRBNDDSJFSOJ-OWOJBTEDSA-N
XLogP2.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine (CID 117281812) is (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine is NC/C=C/c1cc2[nH]ccc2cc1F.
What is the InChIKey of (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine?
The InChIKey is REJRBNDDSJFSOJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H11FN2/c12-10-6-9-3-5-14-11(9)7-8(10)2-1-4-13/h1-3,5-7,14H,4,13H2/b2-1+.
What are the key properties of (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine?
(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine has a molecular weight of 190.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 117281812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).