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

C11H12N2 — CID 117276942

IUPAC(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6,12H2/b2-1+
InChIKeyGYWBKYFVNWIIQV-OWOJBTEDSA-N
MW172.23 g/mol
LogP2.14
Rot. Bonds2

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

(E)-3-(1H-indol-5-yl)prop-2-en-1-amine (PubChem CID 117276942) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (E)-3-(1H-indol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
PubChem CID117276942
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6,12H2/b2-1+
InChIKeyGYWBKYFVNWIIQV-OWOJBTEDSA-N
XLogP2.14
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1H-indol-5-yl)prop-2-en-1-amine (CID 117276942) is (E)-3-(1H-indol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1H-indol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1H-indol-5-yl)prop-2-en-1-amine is NC/C=C/c1ccc2[nH]ccc2c1.
What is the InChIKey of (E)-3-(1H-indol-5-yl)prop-2-en-1-amine?
The InChIKey is GYWBKYFVNWIIQV-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6,12H2/b2-1+.
What are the key properties of (E)-3-(1H-indol-5-yl)prop-2-en-1-amine?
(E)-3-(1H-indol-5-yl)prop-2-en-1-amine has a molecular weight of 172.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 117276942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).