1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C13H15NO2 — CID 126824761

IUPAC1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C)=C(c2ccco2)C1
InChIInChI=1S/C13H15NO2/c1-3-13(15)14-7-6-10(2)11(9-14)12-5-4-8-16-12/h3-5,8H,1,6-7,9H2,2H3
InChIKeyUYNKILJNUUDFFJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds2

About 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 126824761) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
PubChem CID126824761
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C)=C(c2ccco2)C1
InChIInChI=1S/C13H15NO2/c1-3-13(15)14-7-6-10(2)11(9-14)12-5-4-8-16-12/h3-5,8H,1,6-7,9H2,2H3
InChIKeyUYNKILJNUUDFFJ-UHFFFAOYSA-N
XLogP2.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
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 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 126824761) is 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C)=C(c2ccco2)C1.
What is the InChIKey of 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The InChIKey is UYNKILJNUUDFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-13(15)14-7-6-10(2)11(9-14)12-5-4-8-16-12/h3-5,8H,1,6-7,9H2,2H3.
What are the key properties of 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 126824761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).