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

C12H14N2O — CID 117290958

IUPAC(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
SMILESCOc1cc2cc[nH]c2cc1/C=C/CN
InChIInChI=1S/C12H14N2O/c1-15-12-8-9-4-6-14-11(9)7-10(12)3-2-5-13/h2-4,6-8,14H,5,13H2,1H3/b3-2+
InChIKeyZQHYTGDAXWJTTQ-NSCUHMNNSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds3

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

(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine (PubChem CID 117290958) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
PubChem CID117290958
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
SMILESCOc1cc2cc[nH]c2cc1/C=C/CN
InChIInChI=1S/C12H14N2O/c1-15-12-8-9-4-6-14-11(9)7-10(12)3-2-5-13/h2-4,6-8,14H,5,13H2,1H3/b3-2+
InChIKeyZQHYTGDAXWJTTQ-NSCUHMNNSA-N
XLogP2.15
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine (CID 117290958) is (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine is COc1cc2cc[nH]c2cc1/C=C/CN.
What is the InChIKey of (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine?
The InChIKey is ZQHYTGDAXWJTTQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-12-8-9-4-6-14-11(9)7-10(12)3-2-5-13/h2-4,6-8,14H,5,13H2,1H3/b3-2+.
What are the key properties of (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine?
(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine has a molecular weight of 202.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 117290958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).