(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

C15H14N2O2 — CID 24653451

IUPAC(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCCc2ncccc21
InChIInChI=1S/C15H14N2O2/c18-15(8-7-12-4-3-11-19-12)17-10-2-5-13-14(17)6-1-9-16-13/h1,3-4,6-9,11H,2,5,10H2/b8-7+
InChIKeyREBORUMCCPTXCX-BQYQJAHWSA-N
MW254.29 g/mol
LogP2.67
Rot. Bonds2

About (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 24653451) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID24653451
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCCc2ncccc21
InChIInChI=1S/C15H14N2O2/c18-15(8-7-12-4-3-11-19-12)17-10-2-5-13-14(17)6-1-9-16-13/h1,3-4,6-9,11H,2,5,10H2/b8-7+
InChIKeyREBORUMCCPTXCX-BQYQJAHWSA-N
XLogP2.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 24653451) is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCCc2ncccc21.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is REBORUMCCPTXCX-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(8-7-12-4-3-11-19-12)17-10-2-5-13-14(17)6-1-9-16-13/h1,3-4,6-9,11H,2,5,10H2/b8-7+.
What are the key properties of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 24653451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).