(E)-3-pyridin-4-yloxyprop-1-en-1-amine

C8H10N2O — CID 169265218

IUPAC(E)-3-pyridin-4-yloxyprop-1-en-1-amine
SMILESN/C=C/COc1ccncc1
InChIInChI=1S/C8H10N2O/c9-4-1-7-11-8-2-5-10-6-3-8/h1-6H,7,9H2/b4-1+
InChIKeyCKTAZLBPJJQBEE-DAFODLJHSA-N
MW150.18 g/mol
LogP0.93
Rot. Bonds3

About (E)-3-pyridin-4-yloxyprop-1-en-1-amine

(E)-3-pyridin-4-yloxyprop-1-en-1-amine (PubChem CID 169265218) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-3-pyridin-4-yloxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-pyridin-4-yloxyprop-1-en-1-amine
PubChem CID169265218
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(E)-3-pyridin-4-yloxyprop-1-en-1-amine
SMILESN/C=C/COc1ccncc1
InChIInChI=1S/C8H10N2O/c9-4-1-7-11-8-2-5-10-6-3-8/h1-6H,7,9H2/b4-1+
InChIKeyCKTAZLBPJJQBEE-DAFODLJHSA-N
XLogP0.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-yloxyprop-1-en-1-amine?
The IUPAC name of (E)-3-pyridin-4-yloxyprop-1-en-1-amine (CID 169265218) is (E)-3-pyridin-4-yloxyprop-1-en-1-amine.
What is the SMILES notation for (E)-3-pyridin-4-yloxyprop-1-en-1-amine?
The canonical SMILES for (E)-3-pyridin-4-yloxyprop-1-en-1-amine is N/C=C/COc1ccncc1.
What is the InChIKey of (E)-3-pyridin-4-yloxyprop-1-en-1-amine?
The InChIKey is CKTAZLBPJJQBEE-DAFODLJHSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-1-7-11-8-2-5-10-6-3-8/h1-6H,7,9H2/b4-1+.
What are the key properties of (E)-3-pyridin-4-yloxyprop-1-en-1-amine?
(E)-3-pyridin-4-yloxyprop-1-en-1-amine has a molecular weight of 150.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-yloxyprop-1-en-1-amine is sourced from PubChem (CID 169265218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).