(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one

C18H13NO — CID 40700807

IUPAC(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C18H13NO/c20-18(11-10-14-5-4-12-19-13-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-13H/b11-10+
InChIKeyPGWOBCNTPPHTAD-ZHACJKMWSA-N
MW259.31 g/mol
LogP4.13
Rot. Bonds3

About (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one

(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 40700807) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one
PubChem CID40700807
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C18H13NO/c20-18(11-10-14-5-4-12-19-13-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-13H/b11-10+
InChIKeyPGWOBCNTPPHTAD-ZHACJKMWSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one (CID 40700807) is (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is PGWOBCNTPPHTAD-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H13NO/c20-18(11-10-14-5-4-12-19-13-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-13H/b11-10+.
What are the key properties of (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 259.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 40700807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).