(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one

C19H20N2O2 — CID 131635680

IUPAC(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(O)c(CN2CCCC2)c1
InChIInChI=1S/C19H20N2O2/c22-18(9-7-17-5-1-2-10-20-17)15-6-8-19(23)16(13-15)14-21-11-3-4-12-21/h1-2,5-10,13,23H,3-4,11-12,14H2/b9-7+
InChIKeyFYZYDUZQOVAQNT-VQHVLOKHSA-N
MW308.38 g/mol
LogP3.28
Rot. Bonds5

About (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one

(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 131635680) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
PubChem CID131635680
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(O)c(CN2CCCC2)c1
InChIInChI=1S/C19H20N2O2/c22-18(9-7-17-5-1-2-10-20-17)15-6-8-19(23)16(13-15)14-21-11-3-4-12-21/h1-2,5-10,13,23H,3-4,11-12,14H2/b9-7+
InChIKeyFYZYDUZQOVAQNT-VQHVLOKHSA-N
XLogP3.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one (CID 131635680) is (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)c1ccc(O)c(CN2CCCC2)c1.
What is the InChIKey of (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is FYZYDUZQOVAQNT-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(9-7-17-5-1-2-10-20-17)15-6-8-19(23)16(13-15)14-21-11-3-4-12-21/h1-2,5-10,13,23H,3-4,11-12,14H2/b9-7+.
What are the key properties of (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
(E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 131635680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).