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

C12H15NO2 — CID 139520082

IUPAC1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC=C(C2=CCCO2)C1
InChIInChI=1S/C12H15NO2/c1-2-12(14)13-7-3-5-10(9-13)11-6-4-8-15-11/h2,5-6H,1,3-4,7-9H2
InChIKeyVAPSVPHPECBMIS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds2

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

1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 139520082) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
PubChem CID139520082
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC=C(C2=CCCO2)C1
InChIInChI=1S/C12H15NO2/c1-2-12(14)13-7-3-5-10(9-13)11-6-4-8-15-11/h2,5-6H,1,3-4,7-9H2
InChIKeyVAPSVPHPECBMIS-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
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-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 139520082) is 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC=C(C2=CCCO2)C1.
What is the InChIKey of 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The InChIKey is VAPSVPHPECBMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-12(14)13-7-3-5-10(9-13)11-6-4-8-15-11/h2,5-6H,1,3-4,7-9H2.
What are the key properties of 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 139520082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).