(E)-3-isoquinolin-7-ylprop-2-en-1-amine

C12H12N2 — CID 117279909

IUPAC(E)-3-isoquinolin-7-ylprop-2-en-1-amine
SMILESNC/C=C/c1ccc2ccncc2c1
InChIInChI=1S/C12H12N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h1-5,7-9H,6,13H2/b2-1+
InChIKeyVEHRKKXYYOXUGS-OWOJBTEDSA-N
MW184.24 g/mol
LogP2.21
Rot. Bonds2

About (E)-3-isoquinolin-7-ylprop-2-en-1-amine

(E)-3-isoquinolin-7-ylprop-2-en-1-amine (PubChem CID 117279909) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-3-isoquinolin-7-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-isoquinolin-7-ylprop-2-en-1-amine
PubChem CID117279909
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(E)-3-isoquinolin-7-ylprop-2-en-1-amine
SMILESNC/C=C/c1ccc2ccncc2c1
InChIInChI=1S/C12H12N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h1-5,7-9H,6,13H2/b2-1+
InChIKeyVEHRKKXYYOXUGS-OWOJBTEDSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-isoquinolin-7-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-isoquinolin-7-ylprop-2-en-1-amine (CID 117279909) is (E)-3-isoquinolin-7-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-isoquinolin-7-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-isoquinolin-7-ylprop-2-en-1-amine is NC/C=C/c1ccc2ccncc2c1.
What is the InChIKey of (E)-3-isoquinolin-7-ylprop-2-en-1-amine?
The InChIKey is VEHRKKXYYOXUGS-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H12N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h1-5,7-9H,6,13H2/b2-1+.
What are the key properties of (E)-3-isoquinolin-7-ylprop-2-en-1-amine?
(E)-3-isoquinolin-7-ylprop-2-en-1-amine has a molecular weight of 184.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-isoquinolin-7-ylprop-2-en-1-amine is sourced from PubChem (CID 117279909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).