(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one

C18H13NO — CID 15252040

IUPAC(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13NO/c20-18(8-5-14-9-11-19-12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-13H/b8-5+
InChIKeyODEHHPMSGGVPKQ-VMPITWQZSA-N
MW259.31 g/mol
LogP4.13
Rot. Bonds3

About (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one

(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 15252040) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one
PubChem CID15252040
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13NO/c20-18(8-5-14-9-11-19-12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-13H/b8-5+
InChIKeyODEHHPMSGGVPKQ-VMPITWQZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one (CID 15252040) is (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is ODEHHPMSGGVPKQ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H13NO/c20-18(8-5-14-9-11-19-12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-13H/b8-5+.
What are the key properties of (E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-pyridin-4-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-2-yl-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 15252040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).